%chk=000039192.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039192

0 1
 O    2.259200       1.737600      0.3254000    
 O   -4.369000     -0.2182000     -0.8767000    
 O    1.765500     -4.2800002E-02   1.673300    
 N    5.274000     -0.2197000     -0.5930000    
 N   0.1898000      0.8577000      0.1879000    
 C    3.874200      0.1804000     -0.5501000    
 C    3.657000       1.425000      0.3139000    
 C    5.793800     -0.4290000      0.7600000    
 C    5.439900      -1.435400      -1.392600    
 C    4.398800       2.650300     -0.2051000    
 C    7.271500     -0.7810000      0.7321000    
 C    4.907100      -1.242400      -2.802200    
 C   -6.680800      0.3989000     -0.7870000    
 C    1.429600      0.7644000      0.8154000    
 C   -8.037600      0.1221000     -0.1456000    
 C   -5.605400     -0.5369000     -0.2533000    
 C  -0.9452000      6.9399998E-02  0.3811000    
 C   -3.230300     -0.4674000     -0.1554000    
 C   -2.104000      0.3231000     -0.3528000    
 C   -9.099100       1.086800     -0.6494000    
 C  -0.9206000     -0.9730000       1.307600    
 C   -3.213500      -1.508100      0.7662000    
 C   -2.054800      -1.761700       1.500300    
 H    3.500400      0.4340000      -1.549500    
 H    3.258100     -0.6585000     -0.2059000    
 H    3.932500       1.272600       1.361900    
 H    5.749200      0.4887000       1.352000    
 H    5.234600      -1.202600       1.301000    
 H    4.950400      -2.301500     -0.9295000    
 H    6.501100      -1.678000      -1.508900    
 H    4.146000       3.529800      0.3974000    
 H    4.098200       2.882100      -1.233000    
 H    5.484200       2.518100     -0.1790000    
 H    7.686600     -0.7039000       1.743500    
 H    7.840600     -9.6199997E-02  9.3900003E-02
 H    7.451000      -1.808500      0.4013000    
 H    5.273700     -0.3134000      -3.252400    
 H    5.247200      -2.067700      -3.438000    
 H    3.813400      -1.251500      -2.841700    
 H   -6.379700       1.438100     -0.6034000    
 H   -6.747100      0.2947000      -1.877300    
 H   -8.350100     -0.9056000     -0.3646000    
 H   -7.961300      0.2127000      0.9442000    
 H   -5.556500     -0.4036000      0.8354000    
 H   -5.865900      -1.576900     -0.4817000    
 H   0.1024000       1.599100     -0.5031000    
 H   -2.133000       1.133200      -1.077400    
 H   -8.832000       2.122000     -0.4143000    
 H   -9.223700       1.001500      -1.733600    
 H   -10.06290      0.8694000     -0.1784000    
 H  -6.0500000E-02  -1.230100       1.910100    
 H   -4.064500      -2.163100      0.9256000    
 H   -2.034300      -2.577900       2.216800    


%chk=000039192-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039192

0 1
O 2.185214 1.208357 -0.644667
O -4.716209 0.356924 -0.154679
O 1.842961 -0.266533 1.167737
N 5.539236 -0.523015 -0.661755
N 0.066433 0.638016 -0.122372
C 4.183272 -0.175087 -1.151163
C 3.668488 1.098934 -0.436694
C 5.491339 -1.335462 0.589244
C 6.418360 -1.112671 -1.706116
C 4.274316 2.390018 -0.979290
C 6.738247 -1.146485 1.473413
C 6.927769 -0.074611 -2.724025
C -7.108680 0.480663 -0.482853
C 1.391655 0.444462 0.232467
C -8.516917 0.044536 -0.015081
C -6.002190 -0.129991 0.379465
C -1.093441 0.083184 0.485371
C -3.539711 -0.070108 0.481590
C -2.344037 0.441407 -0.071016
C -9.639316 0.655846 -0.880963
C -1.032636 -0.794470 1.602951
C -3.498608 -0.945500 1.596009
C -2.238370 -1.290999 2.135011
H 4.219634 0.018966 -2.238355
H 3.456052 -1.004120 -0.986751
H 3.840758 0.998373 0.650270
H 4.594301 -1.029533 1.158398
H 5.352634 -2.420773 0.354738
H 5.908209 -1.951861 -2.244195
H 7.290579 -1.556528 -1.192795
H 3.950824 3.264055 -0.388688
H 3.979401 2.548999 -2.032275
H 5.373967 2.308129 -0.926863
H 6.647099 -1.744203 2.399624
H 6.851592 -0.083259 1.748593
H 7.664070 -1.464721 0.959867
H 7.494816 0.719034 -2.206494
H 7.589961 -0.556205 -3.467677
H 6.098399 0.404219 -3.275844
H -7.024336 1.583790 -0.447330
H -6.951103 0.179772 -1.536375
H -8.590425 -1.061913 -0.042897
H -8.664090 0.341773 1.043389
H -6.106322 0.182857 1.439794
H -6.028760 -1.239165 0.333295
H -0.073908 1.266035 -0.916786
H -2.415851 1.115663 -0.931981
H -9.608621 1.761006 -0.846613
H -9.534582 0.350084 -1.938742
H -10.637505 0.333786 -0.532642
H -0.066234 -1.066945 2.029126
H -4.412253 -1.350651 2.038458
H -2.197283 -1.966979 2.996568


