%chk=000028212.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028212

0 1
 I   -5.477100      -2.267600      0.2090000    
 N    4.040600     -0.7744000      0.7641000    
 N    1.096200      0.2994000     -0.8381000    
 N   -2.363300       2.103800      0.7091000    
 C    3.436400      0.1054000      -1.472600    
 C    3.697700      -1.131200     -0.6072000    
 C    2.323600       1.018100     -0.9582000    
 C  -8.4700003E-02  0.8830000     -0.3200000    
 C   -1.279300      0.1583000     -0.2116000    
 C   -2.409900      0.8169000      0.3158000    
 C    5.284300     -2.7000001E-03  0.8005000    
 C    4.163400      -1.974200       1.594100    
 C  -3.3700000E-02   2.209200      8.4299996E-02
 C   -1.363600      -1.185900     -0.6121000    
 C   -3.596200      9.6500002E-02  0.4234000    
 C   -1.191000       2.767700      0.5875000    
 C   -2.562900      -1.882300     -0.4933000    
 C   -3.680400      -1.240000      2.5300000E-02
 H    4.351700      0.6895000      -1.620200    
 H    3.157800     -0.2495000      -2.474400    
 H    4.496200      -1.726000      -1.070900    
 H    2.802800      -1.765700     -0.6133000    
 H    2.210600       1.847000      -1.667600    
 H    2.630400       1.441200      5.2999998E-03
 H    1.024400     -0.6005000      -1.293200    
 H    5.164700      0.9897000      0.3559000    
 H    6.110800     -0.5200000      0.2996000    
 H    5.585900      0.1820000       1.838700    
 H    3.221900      -2.534800       1.602100    
 H    4.373500      -1.703200       2.634800    
 H    4.959700      -2.640400       1.242600    
 H   0.8525000       2.829100      2.4800001E-02
 H  -0.5189000      -1.734700      -1.016200    
 H   -4.474600      0.5969000      0.8297000    
 H   -1.212400       3.801000      0.9183000    
 H   -2.602600      -2.921600     -0.8085000    


%chk=000028212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028212

0 1
I -5.836068 -2.167828 -0.215801
N 4.381107 -0.550850 0.719402
N 0.999960 0.263989 -0.931702
N -2.411852 1.928697 1.063330
C 3.383837 -0.048692 -1.536481
C 3.767070 -1.130883 -0.498226
C 2.313234 0.924527 -1.007453
C -0.101024 0.796595 -0.288031
C -1.376829 0.091082 -0.288309
C -2.492143 0.710767 0.395987
C 5.776939 -0.112674 0.516516
C 4.245426 -1.424768 1.903533
C -0.044502 2.033093 0.396736
C -1.583363 -1.174012 -0.921255
C -3.765410 0.049483 0.404828
C -1.205150 2.535502 1.043969
C -2.829483 -1.810489 -0.903282
C -3.919582 -1.179152 -0.233549
H 4.278307 0.535025 -1.822141
H 3.031442 -0.542107 -2.466785
H 4.437122 -1.886375 -0.983307
H 2.850550 -1.667566 -0.186940
H 2.255475 1.826669 -1.653841
H 2.624670 1.245451 0.005039
H 0.869583 -0.559505 -1.518602
H 5.838583 0.619393 -0.307239
H 6.470835 -0.959015 0.278744
H 6.144469 0.383954 1.431988
H 3.179183 -1.650994 2.079942
H 4.633327 -0.901060 2.795733
H 4.797458 -2.394110 1.809173
H 0.877031 2.618469 0.430680
H -0.763074 -1.691416 -1.434215
H -4.581776 0.552517 0.928870
H -1.146706 3.495552 1.572026
H -2.964145 -2.779269 -1.391838


