%chk=000052606.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052606

0 1
 O    2.482100      0.7218000      4.9899999E-02
 N    8.896400      0.7923000      0.1184000    
 N    8.369300      -1.468900     -0.1453000    
 N   -8.841000      -1.556600      0.2051000    
 N   -9.172500      0.7048000     -0.2821000    
 C    4.235000     -0.6961000     -9.1600001E-02
 C    3.841800      0.6304000      5.3199999E-02
 C    3.033600      -1.446600     -0.1868000    
 C    5.609500     -0.9905000     -0.1120000    
 C    2.002300     -0.5408000     -9.5500000E-02
 C    6.525000      6.3299999E-02  1.4700000E-02
 C    4.727600       1.698700      0.1817000    
 C    6.089300       1.383000      0.1594000    
 C   0.6159000     -0.8159000     -0.1395000    
 C    7.951300     -0.2239000     -4.6999999E-03
 C   -4.173900      0.4743000      7.0400000E-02
 C  -0.3554000      0.1169000     -2.4999999E-03
 C   -6.899900     -2.0500001E-02  7.4999998E-03
 C   -2.724900      0.7371000      0.1028000    
 C   -4.636200     -0.8106000      0.3056000    
 C   -5.047200       1.516800     -0.1956000    
 C   -1.770200     -0.1968000     -3.4200002E-02
 C   -6.008200      -1.059700      0.2738000    
 C   -6.419300       1.267800     -0.2273000    
 C   -8.330300     -0.2804000     -2.5400000E-02
 H    2.942300      -2.517700     -0.3075000    
 H    5.926700      -2.022500     -0.2248000    
 H    4.381300       2.719400      0.2928000    
 H    6.774900       2.218100      0.2596000    
 H   0.3250000      -1.854800     -0.2837000    
 H  -8.8500001E-02   1.160800      0.1474000    
 H   -2.440800       1.778800      0.2401000    
 H   -3.981300      -1.644100      0.5391000    
 H   -4.687700       2.525400     -0.3820000    
 H   -2.013800      -1.241800     -0.1999000    
 H   -6.328700      -2.077300      0.4681000    
 H   -7.086000       2.099600     -0.4381000    
 H    9.886700      0.5712000      0.1008000    
 H    8.665600       1.771500      0.2295000    
 H    9.395300      -1.467300     -0.1368000    
 H   -9.842500      -1.718400      0.1759000    
 H   -8.268000      -2.366400      0.4065000    
 H   -10.12610      0.3266000     -0.2630000    


%chk=000052606-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052606

0 1
O 2.476646 0.619115 -0.000910
N 8.975104 1.007760 0.031282
N 8.524911 -1.359593 -0.010552
N -9.090350 -1.376363 0.026425
N -9.236741 1.032777 0.039463
C 4.376192 -0.725328 0.015871
C 3.883161 0.617424 -0.001771
C 3.208240 -1.580697 0.028325
C 5.772450 -0.941778 0.018078
C 2.080833 -0.759143 0.017698
C 6.644481 0.173606 0.003306
C 4.713764 1.742559 -0.018568
C 6.105724 1.499613 -0.015976
C 0.673434 -1.052045 0.022854
C 8.123777 -0.101476 0.008042
C -4.180709 0.315927 0.009993
C -0.332323 -0.104802 0.011718
C -7.042974 0.005269 0.022514
C -2.733238 0.536119 0.005660
C -4.783183 -0.977903 0.014947
C -5.054477 1.445839 0.010237
C -1.740432 -0.422445 0.016129
C -6.180944 -1.127597 0.021143
C -6.449695 1.295722 0.016405
C -8.540536 -0.090608 0.030627
H 3.194005 -2.669012 0.042764
H 6.220445 -1.939213 0.030703
H 4.306475 2.756800 -0.034371
H 6.762347 2.376292 -0.035095
H 0.418737 -2.119724 0.036555
H -0.048041 0.956504 -0.001701
H -2.416347 1.590053 -0.006151
H -4.153294 -1.874030 0.012723
H -4.619840 2.453156 0.005315
H -2.008250 -1.489207 0.030078
H -6.581352 -2.148912 0.025440
H -7.123679 2.157302 0.017183
H 9.982834 0.867652 0.031376
H 8.632741 1.963666 0.060261
H 9.560193 -1.464710 -0.003262
H -10.100956 -1.493688 0.031984
H -8.518018 -2.215673 0.014180
H -10.266614 0.881795 0.043078


