%chk=000080685.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080685

0 1
 O   -1.608100      -2.507800      3.3100002E-02
 O   -4.528100       2.170000      0.1403000    
 O    6.355700       1.444700     -0.3819000    
 O    6.485000     -0.7414000     -0.2310000    
 N  -0.3147000     -5.2099999E-02 -0.3704000    
 N   -5.835800     -0.2882000      0.5460000    
 N   0.2962000      5.9300002E-02  0.7184000    
 N    5.821300      0.3231000     -0.2060000    
 C   -1.699400     -0.1185000     -0.1397000    
 C   -2.322500      -1.347600      5.8100000E-02
 C   -4.444500     -0.2213000      0.3149000    
 C   -3.816000       1.008000      0.1162000    
 C   -2.440800       1.059600     -0.1115000    
 C   -3.697700      -1.399100      0.2859000    
 C    1.674200      0.1251000      0.4892000    
 C    4.422600      0.2566000      2.9200001E-02
 C    2.289800       1.361000      0.2920000    
 C    2.432700      -1.045100      0.4565000    
 C    3.664000       1.426800      6.1900001E-02
 C    3.806900     -0.9792000      0.2265000    
 C   -1.471900      -3.157300      -1.229000    
 C   -5.069100       2.623400      -1.098700    
 H   -1.952700       2.018800     -0.2664000    
 H   -4.182100      -2.360500      0.4410000    
 H    1.706900       2.278100      0.3162000    
 H    1.961400      -2.012700      0.6090000    
 H   -6.381900      0.5621000      0.5847000    
 H   -6.283100      -1.183300      0.6926000    
 H    4.109600       2.407000     -8.7700002E-02
 H    4.365800      -1.911400      0.2076000    
 H  -0.9634000      -2.505700      -1.946600    
 H   -2.452600      -3.450400      -1.617000    
 H  -0.8684000      -4.058000      -1.087100    
 H   -4.264900       2.852800      -1.805000    
 H   -5.638700       3.537300     -0.9094000    
 H   -5.742300       1.874700      -1.527900    


%chk=000080685-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080685

0 1
O -2.321878 -3.108791 -0.061683
O -4.868776 1.895317 -0.146417
O 6.333181 1.577191 -0.361384
O 6.355137 -0.706866 -0.314935
N -0.603764 -0.668060 -0.163455
N -6.240417 -0.371025 -0.060520
N 0.030308 0.499183 -0.205220
N 5.732280 0.429727 -0.324911
C -1.997843 -0.585294 -0.137049
C -2.779974 -1.799350 -0.089268
C -4.867476 -0.486940 -0.083862
C -4.081959 0.730240 -0.130972
C -2.699368 0.673845 -0.156261
C -4.193132 -1.723887 -0.064074
C 1.445207 0.384840 -0.232699
C 4.260356 0.416066 -0.293111
C 2.155786 1.620738 -0.273339
C 2.181066 -0.842028 -0.223031
C 3.558162 1.645050 -0.303519
C 3.581567 -0.828060 -0.253179
C -0.897790 -3.480502 -0.078610
C -4.157500 3.176241 -0.194473
H -2.070121 1.567562 -0.192177
H -4.750380 -2.664635 -0.027971
H 1.573638 2.547376 -0.280201
H 1.629953 -1.785169 -0.191937
H -6.651976 0.560169 -0.077683
H -6.840656 -1.190119 -0.027643
H 4.120512 2.581629 -0.334795
H 4.168748 -1.750382 -0.246776
H -0.370765 -3.062668 0.795185
H -0.407078 -3.119203 -0.997572
H -0.914267 -4.581220 -0.043789
H -3.511582 3.300174 0.695199
H -4.941512 3.947097 -0.201484
H -3.544291 3.250553 -1.112384


