O H C N Ar He
N2
O
H
OH
H2
H2O2
H2O
O2
HO2
CO
CH2O
CH3
CO2
CH4
C2H4
C2H6
CH2CO
C2H2
C3H6
C4H81
C4H6
C6H6
C5H10
C6H12
NC12H26
300.0
101325.0
Ar:1
120186
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, -7.453750000E+02, 4.366000000E+00
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, -7.453750000E+02, 4.366000000E+00
atom
136.500
3.330
0.000
0.000
0.000
N:2
121286
3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09,
-2.444854000E-12, -1.020899900E+03, 3.950372000E+00
2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10,
-6.753351000E-15, -9.227977000E+02, 5.980528000E+00
linear
97.530
3.621
0.000
1.760
4.000
He:1
L10/90
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, -7.453750000E+02, 9.287239740E-01
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, -7.453750000E+02, 9.287239740E-01
atom
10.200
2.576
0.000
0.000
0.000
H:1
L7/88
2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18,
-9.277323320E-22, 2.547365990E+04, -4.466828530E-01
2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18,
4.981973570E-22, 2.547365990E+04, -4.466829140E-01
atom
145.000
2.050
0.000
0.000
0.000
O:1
L1/90
3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09,
2.112659710E-12, 2.912225920E+04, 2.051933460E+00
2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11,
1.228336910E-15, 2.921757910E+04, 4.784338640E+00
atom
80.000
2.750
0.000
0.000
0.000
H:1 O:1
S9/01
4.125305610E+00, -3.225449390E-03, 6.527646910E-06, -5.798536430E-09,
2.062373790E-12, 3.381538120E+03, -6.904329600E-01
2.864728860E+00, 1.056504480E-03, -2.590827580E-07, 3.052186740E-11,
-1.331958760E-15, 3.718857740E+03, 5.701640730E+00
linear
80.000
2.750
0.000
0.000
0.000
H:1 O:2
L5/89
4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08,
9.292251240E-12, 2.948080400E+02, 3.716662450E+00
4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10,
-1.079085350E-14, 1.118567130E+02, 3.785102150E+00
nonlinear
107.400
3.458
0.000
0.000
1.000
H:2
TPIS78
2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
-7.376117610E-12, -9.179351730E+02, 6.830102380E-01
3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
2.002553760E-14, -9.501589220E+02, -3.205023310E+00
linear
38.000
2.920
0.000
0.790
280.000
H:2 O:1
L8/89
4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09,
1.771978170E-12, -3.029372670E+04, -8.490322080E-01
3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11,
1.682009920E-14, -3.000429710E+04, 4.966770100E+00
nonlinear
572.400
2.605
1.844
0.000
4.000
H:2 O:2
L7/88
4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08,
8.624543630E-12, -1.770258210E+04, 3.435050740E+00
4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10,
-2.879083050E-14, -1.786178770E+04, 2.916156620E+00
nonlinear
107.400
3.458
0.000
0.000
3.800
O:2
TPIS89
3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09,
3.243728370E-12, -1.063943560E+03, 3.657675730E+00
3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10,
-2.167177940E-14, -1.088457720E+03, 5.453231290E+00
linear
107.400
3.458
0.000
1.600
3.800
C:1
L11/88
2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10,
2.665214460E-13, 8.544388320E+04, 4.531308480E+00
2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11,
-4.872778930E-15, 8.545129530E+04, 4.801503730E+00
atom
71.400
3.298
0.000
0.000
0.000
H:1 C:1
TPIS79
3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09,
-1.406090670E-12, 7.079729340E+04, 2.084011080E+00
2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10,
1.760793830E-14, 7.101243640E+04, 5.484979990E+00
linear
80.000
2.750
0.000
0.000
0.000
H:2 C:1
LS/93
3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09,
1.687417190E-12, 4.600404010E+04, 1.562531850E+00
2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10,
-1.877275670E-14, 4.626360400E+04, 6.171193240E+00
linear
144.000
3.800
0.000
0.000
0.000
H:2 C:1
LS/93
4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09,
1.943147370E-12, 5.049681630E+04, -7.691189670E-01
2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10,
-3.397163650E-14, 5.092599970E+04, 8.626501690E+00
linear
144.000
3.800
0.000
0.000
0.000
H:3 C:1
L11/89
3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09,
2.543857340E-12, 1.644499880E+04, 1.604564330E+00
2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10,
-4.671543940E-14, 1.677558430E+04, 8.480071790E+00
linear
144.000
3.800
0.000
0.000
0.000
H:4 C:1
L8/88
5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08,
1.666939560E-11, -1.024664760E+04, -4.641303760E+00
7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09,
-1.018152300E-13, -9.468344590E+03, 1.843731800E+01
nonlinear
141.400
3.746
0.000
2.600
13.000
H:1 C:1 O:1
L12/89
4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08,
4.337688650E-12, 3.839564960E+03, 3.394372430E+00
2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10,
-5.335087110E-14, 4.011918150E+03, 9.798344920E+00
nonlinear
498.000
3.590
0.000
0.000
0.000
H:2 C:1 O:1
L8/88
4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08,
1.317726520E-11, -1.430895670E+04, 6.028129000E-01
1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09,
-8.838556400E-14, -1.399583230E+04, 1.365632300E+01
nonlinear
498.000
3.590
0.000
0.000
2.000
H:3 C:1 O:1
IU1/03
3.711805020E+00, -2.804633060E-03, 3.765509710E-05, -4.730720890E-08,
1.865884200E-11, 1.295697600E+03, 6.572408640E+00
4.757792380E+00, 7.441424740E-03, -2.697051760E-06, 4.380905040E-10,
-2.635370980E-14, 3.781119400E+02, -1.966800280E+00
nonlinear
417.000
3.690
1.700
0.000
2.000
H:3 C:1 O:1
IU2/03
4.478343670E+00, -1.350703100E-03, 2.784849800E-05, -3.648690600E-08,
1.479074500E-11, -3.500728900E+03, 3.309135000E+00
5.093143700E+00, 5.947612600E-03, -2.064974600E-06, 3.230081730E-10,
-1.881259020E-14, -4.034096400E+03, -1.846914930E+00
nonlinear
417.000
3.690
1.700
0.000
2.000
H:4 C:1 O:1
L8/88
5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08,
2.613526980E-11, -2.564276560E+04, -1.504098230E+00
1.789707910E+00, 1.409382920E-02, -6.365008350E-06, 1.381710850E-09,
-1.170602200E-13, -2.537487470E+04, 1.450236230E+01
nonlinear
481.800
3.626
0.000
0.000
1.000
C:1 O:1
TPIS79
3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10,
-9.044244990E-13, -1.434408600E+04, 3.508409280E+00
2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10,
-2.036477160E-14, -1.415187240E+04, 7.818687720E+00
linear
98.100
3.650
0.000
1.950
1.800
C:1 O:2
L7/88
2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09,
-1.436995480E-13, -4.837196970E+04, 9.901052220E+00
3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10,
-4.720841640E-14, -4.875916600E+04, 2.271638060E+00
linear
244.000
3.763
0.000
2.650
2.100
C:2 O:1
RUS79
2.864861000E+00, 1.199021600E-02, -1.836244800E-05, 1.576973900E-08,
-5.389745200E-12, 3.374993200E+04, 8.886777200E+00
5.151272200E+00, 2.372672200E-03, -7.613597100E-07, 1.170641500E-10,
-7.025780400E-15, 3.324188800E+04, -2.218313500E+00
linear
232.400
3.828
0.000
0.000
1.000
H:1 C:2
L1/91
2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08,
-1.093315110E-11, 6.683939320E+04, 6.222964380E+00
3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10,
-1.772327700E-14, 6.712106500E+04, 6.635894750E+00
linear
209.000
4.100
0.000
0.000
2.500
H:2 C:2
L1/91
8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08,
-8.500729740E-12, 2.642898070E+04, 1.393970510E+01
4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10,
-3.612352130E-14, 2.593599920E+04, -1.230281210E+00
linear
209.000
4.100
0.000
0.000
2.500
H:2 C:2
L12/89
3.281548300E+00, 6.976479100E-03, -2.385524400E-06, -1.210443200E-09,
9.818954500E-13, 4.862179400E+04, 5.920391000E+00
4.278034000E+00, 4.756280400E-03, -1.630100900E-06, 2.546280600E-10,
-1.488637900E-14, 4.831668800E+04, 6.402370100E-01
nonlinear
209.000
4.100
0.000
0.000
2.500
H:3 C:2
L2/92
3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08,
1.471508730E-11, 3.485984680E+04, 8.510540250E+00
3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09,
-8.626070410E-14, 3.461287390E+04, 7.787323780E+00
nonlinear
209.000
4.100
0.000
0.000
1.000
H:4 C:2
L1/91
3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08,
2.698843730E-11, 5.089775930E+03, 4.097330960E+00
2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09,
-1.257060610E-13, 4.939886140E+03, 1.030536930E+01
nonlinear
280.800
3.971
0.000
0.000
1.500
H:5 C:2
L12/92
4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08,
2.305090040E-11, 1.284162650E+04, 4.707209240E+00
1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09,
-1.496415760E-13, 1.285752000E+04, 1.346243430E+01
nonlinear
252.300
4.302
0.000
0.000
1.500
H:6 C:2
L8/88
4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08,
2.686857710E-11, -1.152220550E+04, 2.666823160E+00
1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09,
-1.900028900E-13, -1.142639320E+04, 1.511561070E+01
nonlinear
252.300
4.302
0.000
0.000
1.500
H:1 C:2 O:1
SRIC91
2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08,
-5.066481100E-12, 2.005944900E+04, 1.249041700E+01
5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10,
-1.940783200E-14, 1.932721500E+04, -3.930259500E+00
nonlinear
150.000
2.500
0.000
0.000
1.000
H:2 C:2 O:1
SRI91
1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08,
-1.401459400E-11, 8.031614300E+03, 1.387431900E+01
5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10,
-2.994010100E-14, 7.264626000E+03, -7.601774200E+00
nonlinear
436.000
3.970
0.000
0.000
2.000
H:2 C:2 O:1
D05/90
2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09,
-2.014576150E-12, -7.270000000E+03, 1.221564800E+01
4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10,
-7.948382010E-14, -7.778500000E+03, 6.322472050E-01
nonlinear
436.000
3.970
0.000
0.000
2.000
H:3 C:2 O:1
T9/92
4.163425700E+00, -2.326161000E-04, 3.426782000E-05, -4.410522700E-08,
1.727561200E-11, -2.657452900E+03, 7.346828000E+00
5.944773100E+00, 7.866720500E-03, -2.886588200E-06, 4.727087500E-10,
-2.859986100E-14, -3.787307500E+03, -5.013675100E+00
nonlinear
436.000
3.970
0.000
0.000
2.000
H:3 C:2 O:1
D05/83
3.409062400E+00, 1.073857400E-02, 1.891492500E-06, -7.158583100E-09,
2.867385100E-12, 6.200000000E+01, 9.571453500E+00
5.975669900E+00, 8.130591400E-03, -2.743624500E-06, 4.070304100E-10,
-2.176017100E-14, -9.695000000E+02, -5.032087900E+00
nonlinear
436.000
3.970
0.000
0.000
2.000
H:3 C:2 O:1
A12/04
-3.839608400E-01, 2.387903800E-02, -1.246758700E-05, -1.768641100E-09,
2.814243800E-12, 1.883620300E+04, 2.574174500E+01
4.499405400E+00, 1.155262500E-02, -4.814412900E-06, 8.923491900E-10,
-5.687058500E-14, 1.747396300E+04, 3.392551500E-01
linear
252.000
4.760
0.000
0.000
1.000
H:4 C:2 O:1
L8/88
4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08,
2.193111200E-11, -2.157287800E+04, 4.103015900E+00
5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10,
-4.098486300E-14, -2.259312200E+04, -3.480791700E+00
nonlinear
436.000
3.970
0.000
0.000
2.000
H:4 C:2 O:1
T6/92
3.759053200E+00, -9.441218000E-03, 8.030972100E-05, -1.008078800E-07,
4.003992100E-11, -7.560814300E+03, 7.849747500E+00
5.488764100E+00, 1.204619000E-02, -4.333693100E-06, 7.002831100E-10,
-4.194908800E-14, -9.180425100E+03, -7.079960500E+00
linear
252.000
4.760
0.000
0.000
1.000
H:3 C:3
T5/97
1.351109270E+00, 3.274112230E-02, -4.738271350E-05, 3.763098080E-08,
-1.185409230E-11, 4.010577830E+04, 1.520589240E+01
7.142218800E+00, 7.619020050E-03, -2.674599500E-06, 4.249148010E-10,
-2.514754150E-14, 3.890874270E+04, -1.258484360E+01
nonlinear
252.000
4.760
0.000
0.000
1.000
H:4 C:3
T2/90
2.680386900E+00, 1.579965100E-02, 2.507059600E-06, -1.365762300E-08,
6.615428500E-12, 2.080237400E+04, 9.876935100E+00
6.025240000E+00, 1.133654200E-02, -4.022339100E-06, 6.437606300E-10,
-3.829963500E-14, 1.962094200E+04, -8.604378500E+00
linear
252.000
4.760
0.000
0.000
1.000
H:4 C:3
L8/89
2.613044500E+00, 1.212257500E-02, 1.853988000E-05, -3.452514900E-08,
1.533507900E-11, 2.154156700E+04, 1.022613900E+01
6.316872200E+00, 1.113372800E-02, -3.962937800E-06, 6.356423800E-10,
-3.787554000E-14, 2.011749500E+04, -1.099576600E+01
linear
252.000
4.760
0.000
0.000
1.000
H:4 C:3
T12/81
-2.462104700E-02, 2.319721500E-02, -1.847435700E-06, -1.592759300E-08,
8.684615500E-12, 3.233413700E+04, 2.272976200E+01
6.699993100E+00, 1.035737200E-02, -3.455116700E-06, 5.065294900E-10,
-2.668227600E-14, 3.019905100E+04, -1.337877000E+01
linear
252.000
4.760
0.000
0.000
1.000
H:5 C:3
PD5/98
1.363183500E+00, 1.981382100E-02, 1.249706000E-05, -3.335555500E-08,
1.584657100E-11, 1.924562900E+04, 1.717321400E+01
6.500787700E+00, 1.432473100E-02, -5.678163200E-06, 1.108080100E-09,
-9.036388700E-14, 1.748244900E+04, -1.124305000E+01
nonlinear
266.800
4.982
0.000
0.000
1.000
H:5 C:3
PD5/98
1.732920900E+00, 2.239462000E-02, -5.149061100E-06, -6.759646600E-09,
3.825321100E-12, 2.904049800E+04, 1.656887800E+01
5.425552800E+00, 1.551107200E-02, -5.667835000E-06, 7.922438800E-10,
-1.687803400E-14, 2.784302700E+04, -3.352718400E+00
nonlinear
266.800
4.982
0.000
0.000
1.000
H:5 C:3
PD5/98
9.137293100E-01, 2.643234300E-02, -1.175895000E-05, -2.303567800E-09,
2.771548800E-12, 3.091686700E+04, 1.998926900E+01
5.372528100E+00, 1.578050900E-02, -5.992285000E-06, 9.308966400E-10,
-3.655096600E-14, 2.961476000E+04, -3.418647800E+00
nonlinear
266.800
4.982
0.000
0.000
1.000
H:6 C:3
120186
1.493307000E+00, 2.092518000E-02, 4.486794000E-06, -1.668912000E-08,
7.158146000E-12, 1.074826000E+03, 1.614534000E+01
6.732257000E+00, 1.490834000E-02, -4.949899000E-06, 7.212022000E-10,
-3.766204000E-14, -9.235703000E+02, -1.331335000E+01
nonlinear
266.800
4.982
0.000
0.000
1.000
H:7 C:3
P11/94
1.049117300E+00, 2.600897300E-02, 2.354251600E-06, -1.959513200E-08,
9.372020700E-12, 1.031234600E+04, 2.113603400E+01
7.709747900E+00, 1.603148500E-02, -5.272023800E-06, 7.588835200E-10,
-3.886271900E-14, 7.976223600E+03, -1.551529700E+01
nonlinear
266.800
4.982
0.000
0.000
1.000
H:7 C:3
P11/94
1.444919900E+00, 2.099911200E-02, 7.703622200E-06, -1.847625300E-08,
7.128296200E-12, 9.422372400E+03, 2.011631700E+01
6.519274100E+00, 1.722010400E-02, -5.736421700E-06, 8.413073200E-10,
-4.456591300E-14, 7.322719300E+03, -9.083021500E+00
nonlinear
266.800
4.982
0.000
0.000
1.000
H:8 C:3
P11/94
9.285109300E-01, 2.646056600E-02, 6.033244600E-06, -2.191495300E-08,
9.496154400E-12, -1.405790700E+04, 1.922553800E+01
7.524415200E+00, 1.889828200E-02, -6.292104100E-06, 9.216145700E-10,
-4.868447800E-14, -1.656439400E+04, -1.783837500E+01
nonlinear
266.800
4.982
0.000
0.000
1.000
H:3 C:3 O:1
T05/99
3.211694670E+00, 1.184221050E-02, 1.674625820E-05, -3.069471760E-08,
1.330488160E-11, 7.128157500E+03, 1.008816630E+01
6.958422270E+00, 1.071932110E-02, -3.852184940E-06, 6.220090640E-10,
-3.724016400E-14, 5.648264980E+03, -1.147457860E+01
linear
357.000
5.180
0.000
0.000
1.000
H:4 C:3 O:1
USC/07
1.271349800E+00, 2.623105400E-02, -9.291230500E-06, -4.783727200E-09,
3.348054300E-12, -9.335734400E+03, 1.949807700E+01
5.811186800E+00, 1.711425600E-02, -7.483416100E-06, 1.425224900E-09,
-9.174684100E-14, -1.078405400E+04, -4.858800400E+00
nonlinear
357.000
5.176
0.000
0.000
1.000
H:6 C:3 O:1
T6/92
4.873383600E-01, 2.851969000E-02, 3.009616200E-06, -2.265264200E-08,
1.070672800E-11, -1.255643400E+04, 2.260527000E+01
8.690055800E+00, 1.602098700E-02, -5.397175300E-06, 7.994154200E-10,
-4.265636600E-14, -1.542069100E+04, -2.248501600E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:6 C:3 O:1
USC/07
2.725567600E+00, 2.323600500E-02, 2.974065600E-06, -1.661341500E-08,
7.425010300E-12, -2.455671100E+04, 1.416627700E+01
6.263741000E+00, 1.997626000E-02, -7.619514700E-06, 1.168711800E-09,
-4.195999300E-14, -2.588595300E+04, -5.778649800E+00
linear
252.000
4.760
0.000
0.000
1.000
H:6 C:3 O:1
T5/92
5.555794300E+00, -2.836542800E-03, 7.056894500E-05, -8.781048800E-08,
3.402826600E-11, -2.811333700E+04, 2.322660000E+00
7.297599100E+00, 1.756620700E-02, -6.317045600E-06, 1.020308600E-09,
-6.109401600E-14, -2.981768000E+04, -1.275698100E+01
nonlinear
357.000
5.176
0.000
0.000
1.000
H:2 C:4
D11/99
1.054397800E+00, 4.162696000E-02, -6.587178400E-05, 5.325707500E-08,
-1.668316200E-11, 5.418521100E+04, 1.486659100E+01
9.157632800E+00, 5.543051800E-03, -1.359160400E-06, 1.878007500E-11,
2.318953600E-14, 5.258803900E+04, -2.371146000E+01
linear
357.000
5.180
0.000
0.000
1.000
H:3 C:4
USC/07
8.166768600E-01, 3.871620100E-02, -4.804565100E-05, 3.206680800E-08,
-8.562821500E-12, 6.445575400E+04, 1.974050300E+01
7.804571600E+00, 1.071236400E-02, -4.193912400E-06, 7.044627700E-10,
-3.627132600E-14, 6.298780500E+04, -1.412974100E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:3 C:4
USC/07
3.722148200E+00, 2.595754300E-02, -2.635634300E-05, 1.550892000E-08,
-3.804056500E-12, 5.883712100E+04, 7.563724500E+00
7.653854800E+00, 1.120405500E-02, -4.640134200E-06, 8.678663900E-10,
-5.743056200E-14, 5.795436300E+04, -1.175647600E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:4 C:4
USC/07
5.885704800E-01, 3.654668500E-02, -3.410696800E-05, 1.665261900E-08,
-3.006462300E-12, 3.335949200E+04, 2.065788100E+01
7.253960100E+00, 1.391409400E-02, -5.293221400E-06, 8.348045000E-10,
-3.519788200E-14, 3.176601600E+04, -1.262952100E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:5 C:4
USC/07
2.261129000E-01, 3.674237100E-02, -2.212047400E-05, 1.439013800E-09,
2.643580900E-12, 4.242841000E+04, 2.406640100E+01
7.408729100E+00, 1.775274800E-02, -7.560150600E-06, 1.420379500E-09,
-9.110018200E-14, 4.043876200E+04, -1.315002700E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:5 C:4
USC/07
1.130810500E-01, 4.095061500E-02, -3.541358100E-05, 1.553096900E-08,
-2.335512200E-12, 3.638337100E+04, 2.369245700E+01
6.964602900E+00, 1.827433300E-02, -7.813373500E-06, 1.529215400E-09,
-1.092049300E-13, 3.472509800E+04, -1.064932100E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:5 C:4
H6W/94
2.969628000E+00, 2.444224500E-02, -9.125142400E-06, -4.246687100E-18,
1.630472800E-21, 3.550331600E+04, 1.203605100E+01
1.453817100E+01, -8.567705600E-03, 2.355952400E-05, -1.367637900E-08,
2.443692700E-12, 3.325909500E+04, -4.536949700E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:5 C:4
PUPM3
-2.639759300E+00, 4.154915700E-02, -2.192095400E-05, -4.655901400E-09,
6.134889000E-12, 3.537382800E+04, 3.570179700E+01
6.746715500E+00, 1.728300000E-02, -6.516857900E-06, 9.891757400E-10,
-3.460490800E-14, 3.280835900E+04, -1.291288000E+01
nonlinear
329.000
5.100
0.000
0.000
1.000
H:6 C:4
H6W/94
1.128446500E-01, 3.436902200E-02, -1.110739200E-05, -9.210666000E-09,
6.206517900E-12, 1.180227000E+04, 2.308999600E+01
8.867313400E+00, 1.491867000E-02, -3.154871600E-06, -4.184133000E-10,
1.576125800E-13, 9.133851600E+03, -2.332817100E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:6 C:4
A8/83
1.023467000E+00, 3.495919000E-02, -2.200905000E-05, 6.942272000E-09,
-7.879187000E-13, 1.811799000E+04, 1.975066000E+01
1.781557000E+01, -4.257502000E-03, 1.051185000E-05, -4.473844000E-09,
5.848138000E-13, 1.267342000E+04, -6.982662000E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:6 C:4
A8/83
2.137333800E+00, 2.648622900E-02, -9.056871100E-06, -5.538639700E-19,
2.128188400E-22, 1.571090200E+04, 1.352942600E+01
9.033813300E+00, 8.212451000E-03, 7.175395200E-06, -5.883433400E-09,
1.034391500E-12, 1.433506800E+04, -2.098576200E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:7 C:4
USC/07
7.444943200E-01, 3.967885700E-02, -2.289808600E-05, 2.135297300E-09,
2.309637500E-12, 2.265332800E+04, 2.343787800E+01
7.013483500E+00, 2.263455800E-02, -9.254547000E-06, 1.680792700E-09,
-1.040861700E-13, 2.095500800E+04, -8.889308000E+00
nonlinear
357.000
5.176
0.000
0.000
1.000
H:7 C:4
USC/07
-1.037589000E+00, 4.556666700E-02, -3.047623100E-05, 7.110256800E-09,
9.968572200E-13, 1.489645800E+04, 2.986366300E+01
7.148593900E+00, 2.218967100E-02, -8.440017200E-06, 1.313335300E-09,
-5.161792700E-14, 1.271229400E+04, -1.213118300E+01
nonlinear
357.000
5.176
0.000
0.000
1.000
H:8 C:4
T6/83
1.181138000E+00, 3.085338000E-02, 5.086524700E-06, -2.465488800E-08,
1.111019300E-11, -1.790400400E+03, 2.106246900E+01
2.053584100E+00, 3.435050700E-02, -1.588319700E-05, 3.308966200E-09,
-2.536104500E-13, -2.139723100E+03, 1.554320100E+01
nonlinear
357.000
5.176
0.000
0.000
1.000
H:8 C:4
T6/83
1.259425200E+00, 2.780842400E-02, 8.701393200E-06, -2.440220500E-08,
9.897771000E-12, -2.964774200E+03, 2.050112900E+01
8.279767600E-01, 3.586453900E-02, -1.663449800E-05, 3.473275900E-09,
-2.665739800E-13, -3.052103300E+03, 2.134254500E+01
nonlinear
357.000
5.176
0.000
0.000
1.000
H:8 C:4
T6/83
2.647140500E+00, 2.590295700E-02, 8.198535400E-06, -2.219325900E-08,
8.895858000E-12, -4.037306900E+03, 1.267638800E+01
4.460947000E+00, 2.961148700E-02, -1.307712900E-05, 2.657193400E-09,
-2.013471300E-13, -5.006675800E+03, 1.067154900E+00
nonlinear
357.000
5.176
0.000
0.000
1.000
H:9 C:4
USC/07
1.208704200E+00, 3.829749700E-02, -7.266050900E-06, -1.542854700E-08,
8.685943500E-12, 7.322104000E+03, 2.216926800E+01
8.682239500E+00, 2.369107100E-02, -7.594886500E-06, 6.642713600E-10,
5.484513600E-14, 4.964405800E+03, -1.789174700E+01
nonlinear
357.000
5.176
0.000
0.000
1.000
H:9 C:4
P11/94
6.942842300E-01, 3.311334600E-02, 6.294257700E-06, -2.702527400E-08,
1.198931500E-11, 6.417565400E+03, 2.627978900E+01
9.426383900E+00, 2.191899800E-02, -7.286837500E-06, 1.063033400E-09,
-5.564946400E-14, 3.196587400E+03, -2.240605100E+01
nonlinear
357.000
5.176
0.000
0.000
1.000
H:9 C:4
USC/07
9.752786200E-01, 4.161379900E-02, -1.446733100E-05, -9.385239300E-09,
6.879737700E-12, 6.668826700E+03, 2.127758200E+01
8.498172800E+00, 2.468953800E-02, -8.648758900E-06, 1.077932500E-09,
-6.434057000E-16, 4.428817400E+03, -1.844139700E+01
nonlinear
357.000
5.176
0.000
0.000
1.000
H:9 C:4
P11/94
9.616755300E-01, 2.573585600E-02, 1.560903300E-05, -2.665651900E-08,
8.941801000E-12, 4.656441200E+03, 2.480536600E+01
7.660726100E+00, 2.387941400E-02, -8.089035300E-06, 1.205752100E-09,
-6.500981400E-14, 1.620762300E+03, -1.480028100E+01
nonlinear
357.000
5.176
0.000
0.000
1.000
H:10 C:4
P11/94
1.568541900E+00, 3.465227800E-02, 6.816812900E-06, -2.799509700E-08,
1.230774200E-11, -1.712997700E+04, 1.790804500E+01
1.052677400E+01, 2.359073800E-02, -7.852248000E-06, 1.144840800E-09,
-5.982770300E-14, -2.047922300E+04, -3.219857900E+01
nonlinear
357.000
5.176
0.000
0.000
1.000
H:10 C:4
P11/94
5.410948900E-01, 3.786030100E-02, 5.545980400E-06, -3.050011000E-08,
1.403335700E-11, -1.797764400E+04, 2.115093500E+01
1.084616900E+01, 2.333838900E-02, -7.783396200E-06, 1.139380700E-09,
-5.991828900E-14, -2.166985400E+04, -3.587057300E+01
nonlinear
357.000
5.176
0.000
0.000
1.000
H:2 C:4 O:1
USC/07
3.181190000E+00, 2.984075200E-02, -3.283240900E-05, 2.063181300E-08,
-5.420059800E-12, 2.412557600E+04, 9.421010000E+00
8.429218300E+00, 1.050270100E-02, -4.206683600E-06, 7.118490200E-10,
-3.579660200E-14, 2.290780700E+04, -1.651199700E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:4 C:4 O:1
T03/97
8.474694630E-01, 1.317737960E-02, 5.997359010E-05, -9.715629040E-08,
4.227337960E-11, -5.367854450E+03, 2.149451720E+01
9.389350030E+00, 1.402912410E-02, -5.077551100E-06, 8.241373320E-10,
-4.953199630E-14, -8.682418140E+03, -2.791629200E+01
linear
357.000
5.180
0.000
0.000
1.000
H:5 C:4 O:1
USC/07
1.210867300E+00, 3.520587800E-02, -1.093909000E-05, -1.172064200E-08,
7.617490800E-12, 2.266570300E+03, 2.061354400E+01
8.301060700E+00, 1.994533100E-02, -8.290377100E-06, 1.510075300E-09,
-9.158115500E-14, 1.578838700E+02, -1.691056600E+01
linear
357.000
5.180
0.000
0.000
1.000
H:5 C:4 O:1
USC/07
5.305346000E+00, 1.574937300E-02, 2.162391300E-05, -3.660776900E-08,
1.493248900E-11, 5.758863300E+03, 4.204353300E+00
7.760820400E+00, 2.003180400E-02, -8.063101600E-06, 1.336139200E-09,
-6.230840800E-14, 4.570829100E+03, -1.109563800E+01
linear
357.000
5.180
0.000
0.000
1.000
H:6 C:4 O:1
A8/83
7.979854400E-01, 3.440343200E-02, -1.245985100E-05, -5.180627900E-18,
1.993595400E-21, -6.489275400E+02, 2.188969800E+01
-4.720933600E+00, 3.914137800E-02, -6.528726500E-06, -7.682095000E-09,
2.514733100E-12, 1.753522520E+03, 5.171904200E+01
linear
357.000
5.180
0.000
0.000
1.000
H:6 C:4 O:1
T3/97
2.670534630E+00, 4.925864200E-03, 8.869674060E-05, -1.262191940E-07,
5.239913210E-11, -1.027878720E+04, 1.457223950E+01
8.606582420E+00, 2.083100510E-02, -8.422294810E-06, 1.567176400E-09,
-1.093912020E-13, -1.323928150E+04, -2.324647500E+01
linear
357.000
5.180
0.000
0.000
1.000
H:6 C:4 O:1
T5/92
-1.555776600E+00, 4.096406300E-02, -1.698688100E-05, -6.009281400E-18,
2.313685300E-21, -1.413949200E+04, 3.747075800E+01
1.987945400E+01, -2.091305500E-02, 4.453605080E-05, -2.603748700E-08,
4.868361200E-12, -1.952787680E+04, -6.872003200E+01
linear
357.000
5.180
0.000
0.000
1.000
H:6 C:4 O:1
T3/97
2.670534630E+00, 4.925864200E-03, 8.869674060E-05, -1.262191940E-07,
5.239913210E-11, -1.465724720E+04, 1.457223950E+01
8.606582420E+00, 2.083100510E-02, -8.422294810E-06, 1.567176400E-09,
-1.093912020E-13, -1.761774150E+04, -2.324647500E+01
linear
357.000
5.180
0.000
0.000
1.000
H:4 C:5 O:1
T8/99
2.645764970E-01, 3.348738270E-02, 1.677384700E-06, -2.962074550E-08,
1.544314760E-11, 5.111592870E+03, 2.354095130E+01
1.008068240E+01, 1.611434650E-02, -5.833145090E-06, 9.467593200E-10,
-5.689722060E-14, 1.943647710E+03, -2.945216230E+01
nonlinear
464.800
5.290
0.000
10.320
0.000
H:5 C:5 O:1
DU0997
-2.956698400E+00, 5.585189200E-02, -3.724163600E-05, 4.162435700E-09,
3.927201000E-12, 4.857319300E+03, 3.867668200E+01
9.243144000E+00, 2.220125700E-02, -9.310594600E-06, 1.715522200E-09,
-1.061396900E-13, 1.590839400E+03, -2.408773800E+01
nonlinear
494.000
5.200
1.600
0.000
1.000
H:5 C:5 O:1
D9/97
-3.077760000E+00, 5.258167900E-02, -2.885651300E-05, -3.388547900E-09,
6.336139900E-12, 2.551045500E+04, 3.959152200E+01
8.540531200E+00, 2.298951000E-02, -9.543756300E-06, 1.706161200E-09,
-9.745936000E-14, 2.226369900E+04, -2.081882500E+01
nonlinear
494.000
5.200
1.600
0.000
1.000
H:5 C:5 O:1
T8/99
-1.283980540E+00, 4.902985110E-02, -1.358444140E-05, -2.929837430E-08,
1.908206190E-11, 6.373648030E+03, 3.080735910E+01
1.337412480E+01, 1.519964690E-02, -5.456850460E-06, 8.809448660E-10,
-5.274932580E-14, 2.203580270E+03, -4.595690690E+01
nonlinear
464.800
5.290
0.000
10.320
0.000
H:6 C:5 O:1
HWZD99
-5.043016900E+00, 7.125347900E-02, -7.091817700E-05, 3.868022000E-08,
-8.788826400E-12, -6.416778800E+03, 4.861710000E+01
3.489397000E+00, 3.805260000E-02, -2.165452700E-05, 5.923857400E-09,
-6.276346100E-13, -8.213102500E+03, 7.124805500E+00
nonlinear
464.800
5.290
0.000
10.320
0.000
H:5 C:5
T12/89
9.834982200E-01, 3.365147600E-02, -1.105418100E-07, -3.674339400E-08,
2.314118400E-11, 2.962600000E+04, 1.658551900E+01
7.474393800E+00, 1.601273300E-02, -6.482314800E-09, -3.581970300E-09,
9.236507100E-13, 2.808600000E+04, -1.613300000E+01
linear
357.000
5.180
0.000
0.000
1.000
H:6 C:5
T1/90
8.610895700E-01, 1.480403100E-02, 7.210889500E-05, -1.133805500E-07,
4.868997200E-11, 1.480175500E+04, 2.135345300E+01
9.975784800E+00, 1.890554300E-02, -6.841146100E-06, 1.109934000E-09,
-6.668023600E-14, 1.108169300E+04, -3.220945400E+01
linear
357.000
5.180
0.000
0.000
1.000
H:7 C:5
HWZD99
-4.097430700E+00, 6.183204400E-02, -4.877078000E-05, 1.669641800E-08,
-7.533489900E-13, 2.368364600E+04, 4.514810900E+01
2.224648000E+00, 3.960129600E-02, -2.234561700E-05, 6.064967600E-09,
-6.384004700E-13, 2.230342800E+04, 1.400995100E+01
linear
357.000
5.180
0.000
0.000
1.000
H:9 C:5
T03/97
2.942712800E-01, 1.382337400E-02, 9.084765300E-05, -1.300869400E-07,
5.305181100E-11, 1.256571200E+04, 2.738977300E+01
1.140680200E+01, 2.256398800E-02, -7.023559500E-06, 1.132196800E-09,
-7.343820400E-14, 7.526876900E+03, -3.963628000E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:8 C:5
T03/97
2.689814000E+00, 2.095455000E-03, 1.130368700E-04, -1.540807000E-07,
6.276365800E-11, 2.313966300E+03, 1.529405600E+01
7.724479200E+00, 2.832231600E-02, -1.154523600E-05, 2.154081500E-09,
-1.505417800E-13, -7.826157300E+02, -1.976969800E+01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:2 C:6
D11/99
4.509997400E-01, 6.747519200E-02, -1.180992500E-04, 1.036763200E-07,
-3.485103900E-11, 8.217306200E+04, 1.770412400E+01
1.289391800E+01, 7.914506800E-03, -2.402724000E-06, 2.434014900E-10,
3.138324600E-15, 7.983240600E+04, -4.077199600E+01
linear
357.000
5.180
0.000
0.000
1.000
H:3 C:6
H6W/94
1.179061900E+00, 5.554736000E-02, -7.307616800E-05, 5.207673600E-08,
-1.504696400E-11, 8.564731200E+04, 1.917919900E+01
5.818834300E+00, 2.793340800E-02, -1.782542700E-05, 5.370253600E-09,
-6.170762700E-13, 8.518825000E+04, -9.214782700E-01
nonlinear
357.000
5.180
0.000
0.000
1.000
H:4 C:6
H6W/94
2.959022500E-01, 5.805331800E-02, -6.776675600E-05, 4.337676200E-08,
-1.141886400E-11, 6.000137100E+04, 2.231897000E+01
1.271518200E+01, 1.383966200E-02, -4.376544000E-06, 3.154163600E-10,
4.661902600E-14, 5.703114800E+04, -3.946460000E+01
nonlinear
412.300
5.349
0.000
0.000
1.000
H:4 C:6
D11/99
-3.845418900E+00, 5.839156400E-02, -4.864475000E-05, 1.677032000E-08,
-7.858068000E-13, 5.259250000E+04, 4.058713200E+01
8.843296100E+00, 2.030147400E-02, -8.867426900E-06, 1.726429200E-09,
-1.178604700E-13, 4.931711300E+04, -2.401430100E+01
nonlinear
464.800
5.290
0.000
10.320
0.000
H:5 C:6
D11/99
-3.693145300E+00, 5.217896800E-02, -2.555842700E-05, -7.066112100E-09,
7.583397500E-12, 3.977959000E+04, 4.133253500E+01
8.597311000E+00, 2.224163000E-02, -8.719997800E-06, 1.378878500E-09,
-5.314605600E-14, 3.626104700E+04, -2.295464300E+01
nonlinear
464.800
5.290
0.000
10.320
0.000
H:6 C:6
D11/99
-4.843773400E+00, 5.842761300E-02, -2.948585500E-05, -6.939044000E-09,
8.212525300E-12, 9.181777300E+03, 4.388983200E+01
9.138124500E+00, 2.385443300E-02, -8.812772600E-06, 1.209902100E-09,
-1.822150300E-14, 5.204346200E+03, -2.911566500E+01
nonlinear
464.800
5.290
0.000
10.320
0.000
H:7 C:7
T08/90
4.811154000E-01, 3.851283200E-02, 3.286149200E-05, -7.697272100E-08,
3.542306800E-11, 2.330702700E+04, 2.354882000E+01
1.404398000E+01, 2.349387300E-02, -8.537536700E-06, 1.389084100E-09,
-8.361442000E-14, 1.856420300E+04, -5.166558900E+01
nonlinear
495.300
5.680
0.430
12.300
1.000
H:8 C:7
L6/87
1.615266300E+00, 2.109943800E-02, 8.536601800E-05, -1.326106600E-07,
5.595660400E-11, 4.075630000E+03, 2.028221000E+01
1.294003400E+01, 2.669128700E-02, -9.683850500E-06, 1.573862900E-09,
-9.466360100E-14, -6.976490800E+02, -4.672878500E+01
nonlinear
495.300
5.680
0.430
12.300
1.000
H:6 C:8
H6W/94
-5.264501600E+00, 8.451104200E-02, -7.659784800E-05, 3.321697800E-08,
-4.767306300E-12, 3.556624200E+04, 4.637881500E+01
2.409075900E+01, 7.823240000E-04, 1.145396400E-05, -6.162050400E-09,
9.334668500E-13, 2.742944500E+04, -1.049963100E+02
nonlinear
535.600
5.720
0.770
12.000
1.000
H:5 C:6 O:1
T05/02
-4.662044550E-01, 4.134439750E-02, 1.324129910E-05, -5.728727690E-08,
2.897637070E-11, 4.778583910E+03, 2.769902740E+01
1.372217200E+01, 1.746887710E-02, -6.355045200E-06, 1.034923080E-09,
-6.234105040E-14, 2.872747510E+02, -4.881816800E+01
nonlinear
464.800
5.290
0.000
10.320
0.000
H:6 C:6 O:1
L4/84
-1.695653900E+00, 5.227129900E-02, -7.202405000E-06, -3.585960300E-08,
2.044907300E-11, -1.328412100E+04, 3.254216000E+01
1.491207300E+01, 1.837813500E-02, -6.198312800E-06, 9.198322100E-10,
-4.920956500E-14, -1.837519900E+04, -5.592410300E+01
nonlinear
464.800
5.290
0.000
10.320
0.000
H:4 C:6 O:2
PUML96
-9.519300500E-01, 5.784244500E-02, -3.821443900E-05, 4.631265600E-09,
3.629665100E-12, -1.761104700E+04, 2.923951300E+01
1.173084000E+01, 2.361499500E-02, -1.023457600E-05, 1.953217400E-09,
-1.274602200E-13, -2.108577000E+04, -3.630045300E+01
nonlinear
485.000
5.425
0.400
0.000
1.000
H:5 C:7 O:1
EST/BURP1/93
-2.025115500E+00, 6.151254100E-02, -3.160365300E-05, -6.972459900E-09,
7.983514900E-12, 1.125580300E+04, 3.577817500E+01
1.337440900E+01, 2.399928900E-02, -1.046572400E-05, 2.166913100E-09,
-1.800704500E-13, 6.914783700E+03, -4.465921800E+01
nonlinear
593.000
5.500
2.800
0.000
1.000
H:6 C:7 O:1
L3/86
-3.162733400E+00, 6.636924500E-02, -3.481635300E-05, -6.299937700E-09,
8.580710100E-12, -6.116934900E+03, 4.023173500E+01
1.365073700E+01, 2.568041900E-02, -1.046672900E-05, 1.941343000E-09,
-1.348379200E-13, -1.101974400E+04, -4.796579600E+01
nonlinear
593.000
5.470
2.800
0.000
1.000
H:8 C:7 O:1
L7/87
2.064202100E+00, 2.277514000E-02, 9.597205300E-05, -1.508511000E-07,
6.417583200E-11, -1.428502100E+04, 1.814831200E+01
1.528115400E+01, 2.720850100E-02, -9.858466000E-06, 1.601218300E-09,
-9.627805700E-14, -1.970047100E+04, -5.941867300E+01
nonlinear
572.000
5.820
1.700
0.000
1.000
H:7 C:7 O:1
EST/BURP1/93
-2.885577700E-01, 4.800353600E-02, 1.803299300E-05, -6.174148800E-08,
2.885258700E-11, -6.894558100E+02, 2.672006800E+01
2.260937100E+01, 7.564615000E-03, 6.596089400E-06, -4.715086500E-09,
8.040906300E-13, -8.202524400E+03, -9.729251100E+01
nonlinear
567.000
5.600
1.600
0.000
1.000
H:8 C:7 O:1
AVGCRESOL6/87
4.225826700E-01, 4.555163600E-02, 3.201251300E-05, -8.112195900E-08,
3.766565800E-11, -1.820262100E+04, 2.603290300E+01
1.593298700E+01, 2.701116000E-02, -9.944872200E-06, 1.629668900E-09,
-9.851329800E-14, -2.359206500E+04, -5.973284100E+01
nonlinear
567.000
5.600
1.600
0.000
1.000
H:7 C:7
P1/93
-3.141594200E+00, 5.672307700E-02, -8.688511100E-06, -3.424961600E-08,
1.926690200E-11, 3.573854700E+04, 3.974284000E+01
1.161549800E+01, 2.743183800E-02, -1.089934500E-05, 1.864183000E-09,
-1.019160700E-13, 3.120933400E+04, -3.899463700E+01
nonlinear
495.300
5.680
0.430
12.300
1.000
H:26 C:12
1/2/7THERM
-2.621815940E+00, 1.472377110E-01, -9.439702710E-05, 3.074412680E-08,
-4.036022300E-12, -4.006542530E+04, 5.009946260E+01
3.850950370E+01, 5.635500480E-02, -1.914932000E-05, 2.960248620E-09,
-1.712441500E-13, -5.488434650E+04, -1.726709220E+02
nonlinear
789.980
7.047
0.000
0.000
1.000
H:22 C:10
1/2/7THERM
-2.084169690E+00, 1.225350120E-01, -7.768157390E-05, 2.498348770E-08,
-3.235480380E-12, -3.430218630E+04, 4.422601400E+01
3.198822390E+01, 4.772449220E-02, -1.622763910E-05, 2.509632590E-09,
-1.452157720E-13, -4.663928400E+04, -1.405041210E+02
nonlinear
704.917
6.675
0.000
0.000
1.000
H:20 C:9
1/2/7THERM
-1.813904580E+00, 1.101766440E-01, -6.931244630E-05, 2.209576010E-08,
-2.833557150E-12, -3.142077160E+04, 4.128272200E+01
2.872896000E+01, 4.340745760E-02, -1.476609850E-05, 2.284209870E-09,
-1.321947960E-13, -4.251744790E+04, -1.244287510E+02
nonlinear
660.032
6.467
0.000
0.000
1.000
H:18 C:8
1/2/7THERM
-1.542184060E+00, 9.781120630E-02, -6.093183580E-05, 1.920055910E-08,
-2.429962500E-12, -2.853956410E+04, 3.833279780E+01
2.547101940E+01, 3.908870370E-02, -1.330387770E-05, 2.058675270E-09,
-1.191671740E-13, -3.839627550E+04, -1.083610940E+02
nonlinear
613.127
6.250
0.000
0.000
1.000
H:16 C:7
1/2/7THERM
-1.268361870E+00, 8.543558200E-02, -5.253467860E-05, 1.629457210E-08,
-2.023949250E-12, -2.565865650E+04, 3.537329120E+01
2.221489690E+01, 3.476757500E-02, -1.184071290E-05, 1.832984780E-09,
-1.061302660E-13, -3.427600810E+04, -9.230401960E+01
nonlinear
564.030
6.004
0.000
0.000
1.000
H:14 C:6
1/2/7THERM
-9.696061840E-01, 7.290856080E-02, -4.388539190E-05, 1.323128070E-08,
-1.584374230E-12, -2.278038620E+04, 3.230697980E+01
1.896341170E+01, 3.044802040E-02, -1.037948290E-05, 1.607754570E-09,
-9.312697280E-14, -3.016287390E+04, -7.628393550E+01
nonlinear
512.225
5.742
0.000
0.000
1.000
H:12 C:6
1/22/7THERM
-1.352752050E+00, 6.986554260E-02, -4.594080220E-05, 1.569673430E-08,
-2.212961750E-12, -7.343686170E+03, 3.531206910E+01
1.783375290E+01, 2.673776580E-02, -9.100367730E-06, 1.408197680E-09,
-8.151242440E-14, -1.420628600E+04, -6.838188510E+01
nonlinear
504.629
5.628
0.000
0.000
1.000
H:12 C:5
1/2/7THERM
-7.367661220E-01, 6.072009730E-02, -3.575927610E-05, 1.049070420E-08,
-1.214873150E-12, -1.989349340E+04, 2.953582870E+01
1.572576030E+01, 2.610860450E-02, -8.909709960E-06, 1.381022480E-09,
-8.002965360E-14, -2.605195430E+04, -6.033654570E+01
nonlinear
458.182
5.445
0.000
0.000
1.000
H:10 C:5
1/2/7THERM
-1.062234810E+00, 5.742182940E-02, -3.744868900E-05, 1.273649890E-08,
-1.796097890E-12, -4.465466660E+03, 3.227397900E+01
1.458515390E+01, 2.240724710E-02, -7.633480250E-06, 1.181889660E-09,
-6.843851390E-14, -1.008982050E+04, -5.236839360E+01
nonlinear
448.508
5.342
0.000
0.000
1.000
N2 [=] N2
0.000000E+00
0.0
10000.000000
N2:1.0
N2:1.0