%chk=000007031.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007031

0 1
 O   1.0000000E-03  -2.911800     -0.2947000    
 N    4.936600       1.024500      0.1012000    
 N   -4.909500       1.157100      0.1138000    
 C    1.252200     -0.9829000     -9.3400002E-02
 C   -1.301500     -0.9359000     -8.9699998E-02
 C    3.699400      0.3505000      3.5999998E-02
 C   -3.690800      0.4504000      4.5200001E-02
 C  -2.4000000E-02  -1.676900     -0.1604000    
 C    1.863800     -0.7656000       1.141300    
 C   -1.274800      0.4404000      4.2500000E-02
 C    1.864400     -0.5336000      -1.263500    
 C   -2.491500      -1.637400     -0.1564000    
 C    3.087300     -9.8899998E-02   1.206100    
 C   -2.480000       1.139600      0.1107000    
 C    3.088000      0.1330000      -1.198800    
 C   -3.696600     -0.9381000     -8.8500001E-02
 C    5.880300      0.7258000       1.159800    
 C    5.286300       2.014900     -0.8979000    
 C   -4.999100       2.515500     -0.3833000    
 C   -6.091600      0.5292000      0.6699000    
 H    1.394600      -1.109200       2.059600    
 H  -0.3572000       1.016200      0.1001000    
 H    1.398200     -0.6999000      -2.231300    
 H   -2.517100      -2.717900     -0.2626000    
 H    3.530500      6.4599998E-02   2.184300    
 H   -2.440700       2.219100      0.2268000    
 H    3.543100      0.4589000      -2.129800    
 H   -4.621400      -1.504100     -0.1547000    
 H    5.595300       1.231900       2.088100    
 H    6.889200       1.063900      0.8974000    
 H    5.947900     -0.3523000       1.344600    
 H    6.088600       2.670100     -0.5403000    
 H    4.435000       2.662400      -1.136500    
 H    5.639400       1.532700      -1.815500    
 H   -4.468100       2.630300      -1.335100    
 H   -4.588200       3.223100      0.3445000    
 H   -6.040700       2.801400     -0.5677000    
 H   -6.560500     -0.1343000     -6.4199999E-02
 H   -6.837000       1.278200      0.9602000    
 H   -5.854600     -4.4300001E-02   1.573200    


%chk=000007031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000007031

0 1
O -0.066717 -2.564984 1.383339
N 5.162944 0.894495 -0.159784
N -5.127999 1.082076 -0.280949
C 1.276221 -0.740715 0.583743
C -1.322025 -0.708407 0.518508
C 3.896223 0.356594 0.076881
C -3.887812 0.498572 -0.014064
C -0.038901 -1.397876 0.855747
C 2.408759 -1.147334 1.343244
C -1.479712 0.704906 0.488314
C 1.489522 0.209370 -0.453136
C -2.482792 -1.502350 0.300951
C 3.682799 -0.612966 1.113453
C -2.726947 1.300515 0.236133
C 2.763273 0.743343 -0.710904
C -3.730775 -0.927404 0.029493
C 6.313530 0.451391 0.638767
C 5.357190 1.880295 -1.230606
C -5.258170 2.543801 -0.333899
C -6.309535 0.236952 -0.499787
H 2.257084 -1.904742 2.120036
H -0.622473 1.350165 0.708166
H 0.654102 0.504252 -1.097191
H -2.374404 -2.590995 0.357027
H 4.517682 -0.949027 1.734925
H -2.801664 2.391539 0.248516
H 2.879397 1.452078 -1.535653
H -4.588485 -1.582361 -0.147938
H 6.172521 0.668297 1.716896
H 7.218310 0.981785 0.302614
H 6.496017 -0.637032 0.530776
H 6.408894 2.207044 -1.242362
H 4.724109 2.777661 -1.078892
H 5.119277 1.460183 -2.229562
H -4.594131 2.985670 -1.104089
H -5.013003 3.016897 0.639133
H -6.295857 2.810827 -0.588397
H -6.187278 -0.422005 -1.383360
H -7.189785 0.875770 -0.673045
H -6.523192 -0.405681 0.377954


