%chk=000058369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058369

0 1
 O   -1.464200      0.1218000       1.185500    
 N   -5.840900      9.8700002E-02 -0.2111000    
 N   -2.339400       1.300700     -0.6133000    
 C    3.728600     -7.9800002E-02  0.2983000    
 C    5.082300      0.2469000     -0.3379000    
 C    2.538900      0.4895000     -0.4824000    
 C    6.268500     -0.3815000      0.4015000    
 C    1.187300      0.2289000      0.1914000    
 C    7.617000     -0.1193000     -0.2728000    
 C   2.7500000E-02  0.8723000     -0.5690000    
 C   -4.465100      8.8900000E-02 -0.6915000    
 C    8.761900     -0.7603000      0.5130000    
 C   -3.714600       1.305900     -0.1712000    
 C   -1.320100      0.7015000      0.1125000    
 C   -5.905600     -0.3569000       1.179000    
 C   -6.690200     -0.7398000      -1.059400    
 C    10.10100     -0.5370000     -0.1715000    
 C   -7.326000     -0.2879000       1.713800    
 C   -6.246900      -2.192300      -1.015000    
 H    3.615800      -1.168300      0.3748000    
 H    3.711800      0.3132000       1.322300    
 H    5.213800       1.335200     -0.3735000    
 H    5.082600     -0.1063000      -1.376600    
 H    2.529300      5.9900001E-02  -1.491700    
 H    2.677300       1.571400     -0.5999000    
 H    6.293300      4.9999999E-03   1.428000    
 H    6.109700      -1.464700      0.4755000    
 H    1.019300     -0.8519000      0.2743000    
 H    1.212200      0.6208000       1.216000    
 H    7.598500     -0.5205000      -1.293300    
 H    7.783500      0.9617000     -0.3528000    
 H  -3.9999999E-02  0.4384000      -1.574000    
 H   0.2116000       1.947800     -0.6819000    
 H   -3.927700     -0.8251000     -0.4069000    
 H   -4.436800      0.1367000      -1.788900    
 H    8.799500     -0.3407000       1.525000    
 H    8.587100      -1.837800      0.6145000    
 H   -4.168500       2.229000     -0.5491000    
 H   -3.710800       1.358400      0.9214000    
 H   -5.479200      -1.352800       1.344000    
 H   -5.319200      0.3199000       1.810400    
 H   -7.749900     -0.6501000     -0.7984000    
 H   -6.635200     -0.3795000      -2.095000    
 H   -2.122200       1.753900      -1.496100    
 H    10.10710     -0.9758000      -1.174400    
 H    10.90500      -1.002000      0.4076000    
 H    10.32170      0.5314000     -0.2623000    
 H   -7.794900      0.6778000       1.495400    
 H   -7.962500      -1.087200       1.322600    
 H   -7.312900     -0.4030000       2.803600    
 H   -5.208300      -2.344200      -1.321200    
 H   -6.405600      -2.665400     -4.1999999E-02
 H   -6.856400      -2.762700      -1.726600    


%chk=000058369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058369

0 1
O -1.576799 1.208041 1.133405
N -5.651048 -0.284562 -0.150372
N -2.409966 1.517908 -1.013367
C 3.552430 -0.000261 0.043437
C 5.012471 0.379654 -0.291371
C 2.518639 1.015141 -0.493707
C 6.047996 -0.634734 0.244409
C 1.065804 0.654848 -0.115038
C 7.509171 -0.242370 -0.070880
C 0.035609 1.667011 -0.668360
C -4.287643 -0.132431 -0.707168
C 8.545727 -1.255754 0.466098
C -3.815410 1.343331 -0.609736
C -1.369384 1.435125 -0.099700
C -5.655015 -0.436342 1.328615
C -6.516399 -1.236445 -0.889311
C 10.002748 -0.849941 0.154821
C -7.023792 -0.134963 1.966602
C -6.121842 -2.737809 -0.804858
H 3.330186 -1.005951 -0.370800
H 3.439510 -0.086415 1.144231
H 5.233434 1.383686 0.127917
H 5.125402 0.471527 -1.392269
H 2.613870 1.084506 -1.598191
H 2.758443 2.024232 -0.096833
H 5.925598 -0.735910 1.343296
H 5.836574 -1.636741 -0.184590
H 0.823483 -0.361085 -0.487396
H 0.955003 0.621246 0.985123
H 7.634181 -0.140167 -1.169555
H 7.720819 0.759004 0.359589
H 0.027394 1.646904 -1.776630
H 0.346670 2.688627 -0.368328
H -3.535051 -0.773444 -0.191277
H -4.299611 -0.438560 -1.771319
H 8.416503 -1.361513 1.562753
H 8.337063 -2.254822 0.031480
H -4.466001 1.980511 -1.234411
H -3.898002 1.684933 0.435883
H -5.311687 -1.453329 1.643692
H -4.909860 0.271723 1.735060
H -7.554280 -1.112252 -0.527858
H -6.521459 -0.922735 -1.951321
H -2.190553 1.671154 -1.998435
H 10.166458 -0.766568 -0.936413
H 10.723990 -1.589424 0.549174
H 10.244164 0.131590 0.605012
H -7.375742 0.865520 1.658473
H -7.791703 -0.875128 1.676946
H -6.941891 -0.156055 3.068935
H -5.097195 -2.905333 -1.185400
H -6.165507 -3.112994 0.233666
H -6.814500 -3.349384 -1.413027


