%chk=000052916.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052916

0 1
 O  -0.2013000      -1.711600      2.4499999E-02
 N   -1.522300      0.2329000      2.0300001E-02
 N   -4.080300       1.932100     -3.8000001E-03
 N   -3.054800      -1.599800     -1.4600000E-02
 N   -6.137700       1.075300     -3.8400002E-02
 N   -5.470800      -1.262600     -4.5600001E-02
 C    4.692600     -0.3141000      6.7199998E-02
 C    3.399800      0.5048000      8.8799998E-02
 C    5.923300      0.5948000      3.6699999E-02
 C    2.167800     -0.4006000      8.6900003E-02
 C    7.246500     -0.1742000     -1.6799999E-02
 C   0.8784000      0.4166000      7.5000003E-02
 C    8.475700      0.7338000     -7.2400004E-02
 C  -0.3371000     -0.4916000      3.1700000E-02
 C    9.761000     -7.7000000E-02 -0.1372000    
 C   -2.842800     -0.2749000     -2.3000001E-03
 C   -3.917000      0.5761000     -1.1200000E-02
 C   -5.208400      6.6600002E-02 -3.2800000E-02
 C   -5.427000       2.182600     -2.0700000E-02
 C   -4.345700      -2.009200     -3.5300002E-02
 H    4.735900     -0.9614000      0.9513000    
 H    4.700200     -0.9675000     -0.8136000    
 H    3.384500       1.146000      0.9785000    
 H    3.370100       1.165300     -0.7865000    
 H    5.919400       1.239900      0.9241000    
 H    5.861400       1.256800     -0.8359000    
 H    2.200100      -1.056400     -0.7924000    
 H    2.189400      -1.051400      0.9701000    
 H    7.316900     -0.8262000      0.8627000    
 H    7.242600     -0.8298000     -0.8966000    
 H   0.8162000       1.041800      0.9732000    
 H   0.8518000       1.072500     -0.8029000    
 H    8.415600       1.386400     -0.9509000    
 H    8.499300       1.380500      0.8122000    
 H    10.62790      0.5900000     -0.1757000    
 H    9.865000     -0.7188000      0.7436000    
 H    9.780500     -0.7112000      -1.029300    
 H   -1.446800       1.247600      3.0300001E-02
 H   -3.345300       2.626600      1.1400000E-02
 H   -5.820000       3.189300     -1.8900000E-02
 H   -4.494900      -3.083700     -4.5000002E-02


%chk=000052916-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052916

0 1
O -0.301179 -1.862633 0.000225
N -1.585478 0.129800 0.013784
N -4.136117 2.018113 0.021996
N -3.220260 -1.637800 0.025608
N -6.270226 1.182688 0.035400
N -5.642650 -1.218072 0.037333
C 4.759322 -0.305146 -0.010525
C 3.421060 0.467554 -0.004261
C 5.998633 0.617520 -0.011178
C 2.190939 -0.465470 -0.003732
C 7.336503 -0.155971 -0.016674
C 0.861704 0.312491 0.004933
C 8.576727 0.766713 -0.017301
C -0.368349 -0.614510 0.005046
C 9.909023 -0.013629 -0.022375
C -2.924110 -0.313474 0.021061
C -3.999520 0.621656 0.024564
C -5.345561 0.116308 0.032918
C -5.513872 2.286514 0.028716
C -4.542114 -2.015561 0.033194
H 4.799764 -0.973578 0.874547
H 4.794711 -0.967744 -0.900181
H 3.388382 1.130236 0.886663
H 3.383325 1.135559 -0.890990
H 5.963627 1.280710 0.878801
H 5.959128 1.285245 -0.897550
H 2.217020 -1.127693 -0.889562
H 2.223800 -1.135713 0.875835
H 7.378459 -0.823981 0.869030
H 7.374010 -0.818948 -0.906352
H 0.818615 0.972077 0.897656
H 0.811973 0.980507 -0.881170
H 8.533757 1.433486 -0.902890
H 8.537918 1.429135 0.871752
H 10.779209 0.668274 -0.023244
H 9.990198 -0.664402 0.868745
H 9.985572 -0.660712 -0.916593
H -1.454784 1.144024 0.015799
H -3.401181 2.723673 0.015923
H -5.900414 3.303899 0.028335
H -4.717864 -3.094849 0.036412


