%chk=000015330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015330

0 1
 O  -1.2200000E-02  0.5720000       1.058100    
 O   0.3730000       2.712500      0.2875000    
 N   0.8853000      -3.566700       1.072900    
 C   0.2722000      5.1399998E-02 -0.2494000    
 C   0.1106000      -1.521400     -0.1655000    
 C  -0.7508000      0.6862000      -1.245200    
 C    1.059600      -2.125200      0.9066000    
 C    1.706600      0.4266000     -0.6582000    
 C   0.3400000      -2.219900      -1.520700    
 C   -2.211500      0.3950000     -0.9585000    
 C    2.656800      0.5346000      0.3259000    
 C    1.970400      0.6367000      -1.988300    
 C   7.7900000E-02   1.928000       1.178600    
 C  -0.4625000      -3.867200       1.555600    
 C    1.888200      -4.101000       1.994000    
 C   -2.797600     -0.7223000      -1.523700    
 C   -2.920100       1.253700     -0.1389000    
 C    3.957600      0.8752000     -4.5000002E-02
 C    3.271300      0.9773000      -2.359200    
 C  -0.2491000       2.310600       2.603000    
 C    4.264800       1.096500      -1.387600    
 C   -4.140800     -0.9905000      -1.260000    
 C   -4.263200      0.9854000      0.1249000    
 C   -4.873500     -0.1367000     -0.4357000    
 C  -0.1532000       3.809300       2.828700    
 H  -0.9163000      -1.708100      0.1619000    
 H  -0.6018000      0.3136000      -2.264000    
 H  -0.6482000       1.767500      -1.378200    
 H    2.096000      -1.969400      0.5912000    
 H   0.9256000      -1.613200       1.868000    
 H    1.407400      -2.274900      -1.762000    
 H  -0.1543000      -1.736400      -2.362100    
 H  -3.3799998E-02  -3.249200      -1.487700    
 H    2.449700      0.3638000       1.377000    
 H    1.256200      0.5309000      -2.792500    
 H  -0.7191000      -3.301700       2.458900    
 H  -0.5517000      -4.934100       1.794500    
 H   -1.223200      -3.683400      0.7913000    
 H    1.805700      -3.663100       2.995400    
 H    2.899700      -3.912700       1.616900    
 H    1.788300      -5.188500       2.084100    
 H   -2.261600      -1.388400      -2.188000    
 H   -2.469400       2.142600      0.2882000    
 H    4.731900      0.9666000      0.7112000    
 H    3.513200       1.142800      -3.405100    
 H   0.4542000       1.799000       3.268700    
 H   -1.266300       1.973600       2.828400    
 H    5.278100       1.359800      -1.676400    
 H   -4.617900      -1.860800      -1.701100    
 H   -4.835300       1.652900      0.7626000    
 H   -5.920000     -0.3441000     -0.2323000    
 H   0.8562000       4.175300       2.613700    
 H  -0.3926000       4.054700       3.867900    
 H  -0.8505000       4.349400       2.179600    


%chk=000015330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015330

0 1
O -0.045470 0.495575 0.934741
O 0.106655 2.775721 0.398935
N 0.794958 -3.515559 1.191802
C 0.314733 0.000983 -0.454666
C 0.213874 -1.558631 -0.281057
C -0.743531 0.543838 -1.480493
C 1.124917 -2.105628 0.854644
C 1.743078 0.458996 -0.804477
C 0.508228 -2.334393 -1.585064
C -2.206293 0.401097 -1.075312
C 2.709921 0.664505 0.214246
C 2.149735 0.626398 -2.153190
C -0.123790 1.860299 1.220721
C -0.432686 -3.644571 2.003916
C 1.930981 -4.224819 1.814371
C -2.926786 -0.802981 -1.295818
C -2.902406 1.502436 -0.509568
C 4.033716 1.033718 -0.102213
C 3.476108 0.991939 -2.473765
C -0.552639 2.050117 2.669940
C 4.426729 1.198126 -1.450169
C -4.289344 -0.913433 -0.938640
C -4.265063 1.396636 -0.150947
C -4.963928 0.185124 -0.358045
C -0.370615 3.497118 3.162167
H -0.836506 -1.744058 0.014282
H -0.578828 0.003552 -2.429368
H -0.510508 1.606700 -1.658170
H 2.176507 -2.078864 0.512737
H 1.045331 -1.446928 1.751452
H 1.502671 -2.072770 -1.990572
H -0.242321 -2.155186 -2.375822
H 0.506416 -3.411564 -1.344324
H 2.419831 0.548667 1.263720
H 1.433887 0.481740 -2.968382
H -0.342190 -3.163212 3.011691
H -0.665559 -4.714275 2.153863
H -1.290576 -3.182328 1.486674
H 2.231331 -3.803191 2.808154
H 2.809376 -4.182946 1.146232
H 1.666739 -5.287485 1.966037
H -2.425870 -1.656296 -1.768536
H -2.373672 2.452167 -0.367348
H 4.757801 1.196056 0.704291
H 3.762635 1.119756 -3.523782
H 0.004989 1.331347 3.298550
H -1.615961 1.743473 2.734808
H 5.454355 1.486773 -1.697353
H -4.825886 -1.851442 -1.122177
H -4.783094 2.261810 0.278792
H -6.021811 0.102286 -0.084269
H 0.693331 3.791214 3.149484
H -0.749258 3.602722 4.194197
H -0.914239 4.204268 2.513078


