%chk=000027110.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027110

0 1
 O   0.9812000       1.788200      0.2545000    
 O   -2.108500      -1.233300       1.503900    
 N    1.916400      -1.554300      9.7199999E-02
 N    2.287200     -0.2028000      0.2365000    
 N   -1.268500      4.3299999E-02 -0.2767000    
 C   1.1100000E-02 -0.3586000     -0.1114000    
 C   0.5453000      -1.585000     -0.1618000    
 C    1.126700      0.5791000      0.1798000    
 C   -1.548700      0.9973000      -1.370900    
 C    3.622000      0.2558000      0.1080000    
 C  -0.1672000      -2.873200     -0.4023000    
 C    2.532700      -2.537800      0.9824000    
 C   -2.287400     -0.4399000      0.5797000    
 C   -1.883000      0.2787000      -2.661700    
 C    3.965300       1.547900      0.5183000    
 C    4.605500     -0.5798000     -0.4305000    
 C   -3.669500      3.1800002E-02  0.3891000    
 C    5.279000       1.999500      0.3915000    
 C    5.919200     -0.1283000     -0.5569000    
 C   -4.513600     -0.6648000     -0.4606000    
 C   -4.099500       1.163400       1.063500    
 C    6.255900       1.161400     -0.1459000    
 C   -5.822600     -0.2181000     -0.6407000    
 C   -5.408600       1.610000      0.8836000    
 C   -6.270200      0.9193000      3.1500001E-02
 H   -2.375400       1.656400      -1.092800    
 H  -0.6843000       1.647400      -1.539900    
 H   0.3635000      -3.463600      -1.156600    
 H   -1.185200      -2.721000     -0.7734000    
 H  -0.2250000      -3.461400      0.5189000    
 H    3.573800      -2.315600       1.228100    
 H    2.510000      -3.528600      0.5167000    
 H    1.985600      -2.591100       1.931000    
 H   -1.038600     -0.3328000      -2.997700    
 H   -2.744100     -0.3844000      -2.560000    
 H   -2.106700       1.003500      -3.450800    
 H    3.241400       2.220100      0.9673000    
 H    4.377900      -1.576300     -0.7982000    
 H    5.543000       3.001600      0.7169000    
 H    6.678400     -0.7773000     -0.9834000    
 H   -4.176500      -1.557400     -0.9801000    
 H   -3.434000       1.706900       1.728500    
 H    7.278600       1.513200     -0.2450000    
 H   -6.494100     -0.7571000      -1.302600    
 H   -5.757000       2.495700       1.406900    
 H   -7.289700       1.266800     -0.1083000    


%chk=000027110-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027110

0 1
O 1.206221 1.945130 -0.194851
O -1.975162 -0.822156 1.689658
N 1.870086 -1.534020 0.240025
N 2.282972 -0.164131 0.192385
N -1.334940 0.155866 -0.340337
C 0.013990 -0.245804 -0.127508
C 0.471040 -1.541253 0.074883
C 1.145251 0.685027 -0.048336
C -1.554012 1.185931 -1.405221
C 3.651284 0.175055 -0.030434
C -0.318819 -2.809293 0.159117
C 2.502939 -2.362958 1.298767
C -2.298993 -0.213002 0.618725
C -1.335285 0.631367 -2.825169
C 4.120992 1.449181 0.381039
C 4.529075 -0.736732 -0.674003
C -3.749599 0.100734 0.348525
C 5.468080 1.797229 0.148296
C 5.878408 -0.379783 -0.880982
C -4.382461 -0.187767 -0.888435
C -4.531604 0.579431 1.431124
C 6.355894 0.886770 -0.471687
C -5.771118 0.017412 -1.043996
C -5.914827 0.803206 1.268767
C -6.539512 0.523050 0.030024
H -2.571833 1.587537 -1.290114
H -0.839139 2.007489 -1.213205
H 0.276635 -3.689532 -0.136911
H -1.193631 -2.738209 -0.510191
H -0.720263 -2.951061 1.179913
H 3.597546 -2.330167 1.191441
H 2.166945 -3.403432 1.172100
H 2.223267 -2.006422 2.308688
H -0.313266 0.228170 -2.937636
H -2.052563 -0.172698 -3.071570
H -1.459730 1.442965 -3.564869
H 3.428708 2.150203 0.852063
H 4.144226 -1.695610 -1.036768
H 5.825873 2.784329 0.461030
H 6.551905 -1.087094 -1.377799
H -3.797616 -0.594919 -1.720381
H -4.042744 0.758900 2.394156
H 7.402428 1.162789 -0.639415
H -6.252337 -0.220944 -1.999049
H -6.506840 1.185983 2.107308
H -7.615672 0.688033 -0.093567


