%chk=000146439.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146439

0 1
 O  -0.5465000       1.815600      0.9370000    
 O    8.876300       1.103900     -0.8873000    
 O    8.173200     -0.9800000     -0.2686000    
 N   -5.184400      0.1841000     -0.1211000    
 N   -2.344000      0.4843000      0.3489000    
 N  -0.2651000     -0.4947000      0.8688000    
 N   -7.432600      0.4888000      0.6661000    
 N    4.326000       1.001400     -0.1830000    
 N    5.232000     -0.9965000      0.1738000    
 N    6.674400      0.8174000     -0.4880000    
 C   -4.652400       1.326000      0.6275000    
 C   -4.232500     -0.7372000     -0.7448000    
 C   -3.223500       1.640900      0.1907000    
 C   -2.944000     -0.8260000      7.4100003E-02
 C   -6.558200      2.5400000E-02 -0.2877000    
 C  -0.9979000      0.6866000      0.7324000    
 C   -7.032700     -0.6163000      -1.446600    
 C    1.131400     -0.6714000      0.7045000    
 C    1.915700      0.4189000      0.3193000    
 C    3.283300      0.1851000      0.1732000    
 C    1.692500      -1.928800      0.9306000    
 C    3.874500      -1.056200      0.3908000    
 C   -8.401400     -0.7821000      -1.627200    
 C    3.068500      -2.140200      0.7777000    
 C   -8.756000      0.3094000      0.4561000    
 C   -9.286100     -0.3132000     -0.6624000    
 C    5.468200      0.2502000     -0.1683000    
 C    7.921800      0.1919000     -0.5199000    
 C    10.21950      0.6125000     -0.9667000    
 H   -5.271100       2.216000      0.4602000    
 H   -4.678100       1.094200       1.699100    
 H   -4.646600      -1.750400     -0.8162000    
 H   -4.005500     -0.3902000      -1.760500    
 H   -2.840300       2.492500      0.7622000    
 H   -3.196500       1.920000     -0.8697000    
 H   -3.145400      -1.289700       1.047300    
 H   -2.222400      -1.456500     -0.4559000    
 H  -0.7800000      -1.344300       1.081200    
 H   -6.364300     -0.9740000      -2.224000    
 H    1.529900       1.405300      0.1050000    
 H    1.066000      -2.766200       1.230200    
 H   -8.778600      -1.271700      -2.520000    
 H    3.497400      -3.121200      0.9554000    
 H   -9.403400      0.6932000       1.237500    
 H    4.262000       1.983600     -0.4154000    
 H   -10.35700     -0.4303000     -0.7828000    
 H    6.656400       1.805300     -0.7286000    
 H    10.28900     -0.1787000      -1.719200    
 H    10.86660       1.440800      -1.267400    
 H    10.54730      0.2479000      1.1400000E-02


%chk=000146439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146439

0 1
O -0.545614 1.765380 -0.448589
O 9.104757 1.271129 0.117461
O 8.403897 -0.982021 0.185486
N -5.278548 0.099206 -0.113987
N -2.419138 0.373155 -0.546496
N -0.265472 -0.571370 -0.302681
N -7.224068 0.977197 0.865456
N 4.495090 1.069329 -0.140763
N 5.357545 -1.049230 0.044767
N 6.899289 0.864544 0.013536
C -4.529761 1.283296 0.378871
C -4.537992 -0.888196 -0.913547
C -3.319208 1.549604 -0.527680
C -3.054896 -0.957957 -0.493220
C -6.658873 0.018707 0.055015
C -1.038943 0.591704 -0.432894
C -7.455790 -0.994138 -0.574461
C 1.154949 -0.666288 -0.217631
C 2.004801 0.468496 -0.243058
C 3.382127 0.208059 -0.149906
C 1.694769 -1.988694 -0.102072
C 3.944358 -1.106412 -0.033531
C -8.837996 -1.019897 -0.318288
C 3.079008 -2.220783 -0.009597
C -8.566592 0.931701 1.081905
C -9.421551 -0.047400 0.531947
C 5.640364 0.254012 -0.022212
C 8.141094 0.231461 0.113457
C 10.502256 0.804921 0.219328
H -5.214633 2.147125 0.384538
H -4.198221 1.129952 1.425591
H -4.969017 -1.894191 -0.756646
H -4.604783 -0.665386 -2.001288
H -2.732838 2.407058 -0.159069
H -3.659328 1.795715 -1.553597
H -2.992584 -1.391059 0.529598
H -2.555463 -1.656370 -1.195941
H -0.750756 -1.466711 -0.242246
H -7.017365 -1.722421 -1.261813
H 1.573247 1.467215 -0.326948
H 1.007299 -2.844643 -0.085814
H -9.460617 -1.788024 -0.790568
H 3.482574 -3.233305 0.078773
H -8.963006 1.722077 1.730842
H 4.461205 2.085024 -0.208311
H -10.492952 -0.041096 0.749637
H 6.948183 1.883736 -0.033198
H 10.753412 0.151883 -0.633597
H 11.107119 1.722573 0.204437
H 10.654066 0.246731 1.158704


