%chk=000010521.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010521

0 1
 O  -2.3800001E-02   1.008500      -2.200500    
 N   -4.662700      -2.195100      0.3597000    
 N    4.690800      -2.176800      0.3806000    
 C   1.0600000E-02  0.8601000     -0.7444000    
 C   -1.274300      1.9200001E-02 -0.4402000    
 C    1.299200      2.4700001E-02 -0.4342000    
 C  -1.3300000E-02   2.233600     -0.1635000    
 C   -1.929100      0.2798000      0.7219000    
 C    1.289900     -0.7391000      0.6893000    
 C   -1.643300     -0.9103000      -1.361000    
 C    2.331400      0.1244000      -1.312200    
 C   -1.015500       3.130200     -0.5343000    
 C   0.9662000       2.621400      0.7508000    
 C   -3.504600      -1.438100      8.6199999E-02
 C    3.531100      -1.424200      0.1019000    
 C   -3.074600     -0.4688000      0.9924000    
 C    2.436900      -1.483600      0.9649000    
 C   -2.788900      -1.658900      -1.090700    
 C    3.478500     -0.6201000      -1.036700    
 C   -1.038200       4.414700      9.1000004E-03
 C   0.9434000       3.906000       1.294200    
 C  -5.8800001E-02   4.802600      0.9232000    
 C   -5.044400      -2.484200       1.727700    
 C   -5.494000      -2.682000     -0.7232000    
 C    5.991600      -1.709600     -5.6100000E-02
 C    4.595700      -3.434300       1.095200    
 H   -1.607000       1.007900       1.456800    
 H   0.4695000     -0.7854000       1.393600    
 H   -1.090000      -1.116800      -2.270300    
 H    2.324000      0.7548000      -2.193600    
 H   -1.787900       2.849800      -1.245900    
 H    1.767600       1.969800       1.079900    
 H   0.2202000       1.916800      -2.445800    
 H   -3.612200     -0.2679000       1.914800    
 H    2.452300      -2.085700       1.869000    
 H   -3.087500      -2.417600      -1.808800    
 H    4.309700     -0.5569000      -1.733300    
 H   -1.818400       5.112900     -0.2797000    
 H    1.705300       4.208800       2.006800    
 H  -7.6600000E-02   5.802700       1.346400    
 H   -4.175400      -2.753500       2.338700    
 H   -5.736000      -3.333000       1.773500    
 H   -5.548600      -1.623800       2.180000    
 H   -5.059200      -3.581300      -1.171900    
 H   -5.626500      -1.921000      -1.500600    
 H   -6.496000      -2.944300     -0.3654000    
 H    6.795800      -2.200000      0.5041000    
 H    6.107000     -0.6321000      0.1073000    
 H    6.147500      -1.930800      -1.117200    
 H    5.493900      -4.043600      0.9449000    
 H    3.747400      -4.032300      0.7436000    
 H    4.491800      -3.262000       2.171700    


%chk=000010521-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010521

0 1
O 0.194934 1.218595 -2.225346
N -4.764096 -2.233328 -0.175608
N 4.763127 -2.212137 0.794457
C 0.098330 0.920982 -0.754828
C -1.163509 0.051851 -0.622964
C 1.359250 0.146302 -0.324165
C -0.038434 2.285909 -0.031801
C -1.330244 -0.850353 0.454763
C 1.949920 0.270291 0.956922
C -2.229700 0.175777 -1.547072
C 1.923316 -0.803178 -1.214243
C -1.255193 2.722472 0.545007
C 1.071917 3.175003 -0.018077
C -3.587582 -1.484429 -0.321388
C 3.646698 -1.446694 0.432558
C -2.509860 -1.602991 0.612416
C 3.066998 -0.501099 1.335287
C -3.413128 -0.574334 -1.411774
C 3.039044 -1.579977 -0.857706
C -1.363646 4.011668 1.116093
C 0.965630 4.464074 0.544833
C -0.257326 4.889874 1.115693
C -4.902430 -3.169685 0.944111
C -5.844108 -2.100201 -1.158436
C 5.311092 -3.199105 -0.142048
C 5.347603 -2.067623 2.131437
H -0.519525 -0.980878 1.180020
H 1.536840 0.984323 1.678667
H -2.112856 0.859841 -2.392405
H 1.467459 -0.927274 -2.202296
H -2.119218 2.050995 0.547701
H 2.034582 2.846949 -0.430886
H 0.965936 1.830155 -2.352233
H -2.585663 -2.290335 1.459802
H 3.485269 -0.363405 2.336611
H -4.201940 -0.450676 -2.159546
H 3.436161 -2.295186 -1.584027
H -2.314423 4.329027 1.559769
H 1.834217 5.132746 0.544141
H -0.343378 5.889833 1.556042
H -4.123895 -3.960788 0.922424
H -5.886546 -3.662272 0.891247
H -4.832478 -2.655077 1.925004
H -5.514201 -2.385093 -2.179351
H -6.232992 -1.061934 -1.207313
H -6.680188 -2.760214 -0.876685
H 6.182197 -3.694584 0.315597
H 5.647751 -2.726520 -1.087554
H 4.569789 -3.983664 -0.401162
H 6.221302 -2.732304 2.224168
H 4.627685 -2.336412 2.932950
H 5.690016 -1.029315 2.319891


