%chk=000110828.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110828

0 1
 O  -0.7784000       1.273900       1.628000    
 O   0.4884000      -2.031000     -0.3924000    
 O   -1.517700       3.336100       2.376000    
 O   -3.880200      -3.822400     -0.4953000    
 O   -5.334400     -0.3998000       1.209400    
 O   -5.924900      -1.958000     -0.3229000    
 N    5.070200     -0.9602000      0.4179000    
 C  -0.4432000      0.6348000      0.3554000    
 C    1.013400      0.2183000      0.4047000    
 C   -1.372300     -0.5471000      0.1610000    
 C  -0.6997000       1.743200     -0.6141000    
 C    1.385400      -1.072800      1.3600000E-02
 C   -1.130700       2.868900      6.4400002E-02
 C  -0.8526000      -1.791100     -0.2145000    
 C    2.023500       1.109900      0.8075000    
 C   -1.182600       2.577000       1.488800    
 C   -2.764400     -0.4264000      0.3184000    
 C  -0.5667000       1.769500      -1.993500    
 C    2.729200      -1.461700      1.3500000E-02
 C    3.716700     -0.5657000      0.4151000    
 C    3.363800      0.7196000      0.8142000    
 C   -1.698400      -2.882800     -0.4372000    
 C   -1.445100       4.053400     -0.5756000    
 C   -3.608000      -1.517600      0.1029000    
 C   -3.075000      -2.745400     -0.2767000    
 C  -0.8774000       2.953400      -2.668800    
 C   -1.313600       4.087700      -1.964100    
 C    6.104500     -3.3900000E-02  0.8350000    
 C    5.445000      -2.302000      1.6899999E-02
 C   -5.044100      -1.347400      0.2753000    
 C    6.489600      0.9092000     -0.2860000    
 C    5.679800      -2.389500      -1.477000    
 H    1.776500       2.123000       1.115200    
 H   -3.179200      0.5409000      0.5924000    
 H  -0.2302000      0.8968000      -2.543200    
 H    2.944000      -2.470100     -0.3235000    
 H    4.079700       1.467400       1.136400    
 H   -1.281100      -3.842800     -0.7323000    
 H   -1.781500       4.926700     -2.8500000E-02
 H  -0.7809000       2.998000      -3.750200    
 H   -1.550300       4.998800      -2.506900    
 H    5.832800      0.5124000       1.745500    
 H    7.007300     -0.5887000       1.122200    
 H    6.385100      -2.580200      0.5116000    
 H    4.745000      -3.069700      0.3631000    
 H    6.913800      0.3679000      -1.136400    
 H    5.642100       1.491400     -0.6587000    
 H    7.249900       1.615000      6.4499997E-02
 H    4.798500      -2.082100      -2.048200    
 H    6.517400      -1.759500      -1.789400    
 H    5.921300      -3.419400      -1.759300    
 H   -4.806200      -3.601600     -0.3070000    
 H   -6.302000     -0.2857000       1.324600    


%chk=000110828-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110828

0 1
O -0.704846 1.017104 1.901382
O 0.551975 -2.182105 0.294350
O -1.459240 2.914767 3.039344
O -3.796246 -3.980417 -0.391299
O -5.466091 -0.066761 -0.500084
O -5.809167 -2.353595 -0.625405
N 5.196291 -0.844147 0.405411
C -0.419534 0.611101 0.401501
C 1.040258 0.246596 0.311176
C -1.319627 -0.573046 0.110396
C -0.801297 1.893994 -0.333679
C 1.468450 -1.100683 0.316837
C -1.227094 2.883104 0.573706
C -0.806361 -1.906563 0.126371
C 2.068872 1.223767 0.307512
C -1.170352 2.351680 1.965668
C -2.700189 -0.415614 -0.091761
C -0.764226 2.159382 -1.714755
C 2.817688 -1.482901 0.325190
C 3.845194 -0.492280 0.344899
C 3.426386 0.883855 0.315363
C -1.630341 -3.032887 -0.037259
C -1.630050 4.163784 0.145027
C -3.562950 -1.524234 -0.268872
C -3.013521 -2.859785 -0.232605
C -1.167176 3.441848 -2.159672
C -1.596520 4.436641 -1.240756
C 6.254286 0.187338 0.341188
C 5.609415 -2.263416 0.435681
C -5.000419 -1.373918 -0.474191
C 6.529570 0.740478 -1.078446
C 5.642344 -2.954285 -0.949598
H 1.789814 2.283221 0.306222
H -3.138355 0.586675 -0.103771
H -0.431699 1.396834 -2.426716
H 3.035090 -2.552210 0.310835
H 4.165461 1.688011 0.312546
H -1.202793 -4.037112 -0.018458
H -1.956102 4.910999 0.875748
H -1.148352 3.672155 -3.230697
H -1.902982 5.419863 -1.613591
H 5.998589 1.018520 1.026322
H 7.179998 -0.264790 0.740959
H 6.616234 -2.307705 0.890015
H 4.940118 -2.820037 1.118989
H 6.880556 -0.058690 -1.754508
H 5.619478 1.182815 -1.519413
H 7.308768 1.524274 -1.037916
H 4.658187 -2.901776 -1.446517
H 6.384373 -2.477052 -1.613542
H 5.915801 -4.020086 -0.839152
H -4.763538 -3.679641 -0.517608
H -6.452027 -0.074469 -0.630570


