%chk=000006449.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006449

0 1
 O    1.263700      -1.298400     -0.9936000    
 O   0.9848000      -3.379400      0.6279000    
 O    3.679600      6.9100000E-02 -0.1605000    
 N   -3.562700       1.262100     -0.6692000    
 C   -1.014800     -0.5006000     -0.7015000    
 C   -2.112200     -0.4911000      0.3504000    
 C   -2.484600       1.042100      0.2975000    
 C  -0.1250000      -1.751600     -0.8312000    
 C   -1.693700     -1.6100001E-02  -2.049800    
 C   5.7200000E-02  0.4274000     -0.1114000    
 C   -1.577600       1.881500       1.222000    
 C   -3.238800      0.4241000      -1.887700    
 C  -0.1386000       1.513100      0.7837000    
 C  -0.2568000      -2.730300      0.3698000    
 C   -1.680500      -1.123700       1.647900    
 C    1.307700     -8.1699997E-02 -0.3673000    
 C  -0.8122000      -2.148100       1.646900    
 C   0.9954000       2.157000       1.272500    
 C   -4.881300      0.9826000     -0.1253000    
 C    2.439200      0.5539000      9.9900000E-02
 C    2.274700       1.690100      0.9094000    
 C    4.755800       1.008300     -0.1885000    
 C    5.820600      0.5098000      -1.142100    
 H   -2.959200      -1.117200      3.7300002E-02
 H   -3.182300      0.9972000       1.153800    
 H  -0.3578000      -2.313700      -1.743500    
 H   -1.665200     -0.8128000      -2.801900    
 H   -1.137700      0.8384000      -2.454700    
 H   -1.694000       1.672200       2.292500    
 H   -1.742000       2.949000       1.040000    
 H   -3.535100      0.9861000      -2.780600    
 H   -3.837300     -0.4968000      -1.882400    
 H  -0.9571000      -3.523400      7.7900000E-02
 H   -2.118900     -0.7855000       2.581000    
 H  -0.5558000      -2.625400       2.588200    
 H   0.9033000       2.999900       1.951300    
 H   -4.995300     -4.3800000E-02  0.2411000    
 H   -5.640800       1.140400     -0.8998000    
 H   -5.133300       1.676500      0.6856000    
 H    3.126500       2.209500       1.341700    
 H    1.637300      -2.692900      0.8486000    
 H    4.427600       1.992200     -0.5462000    
 H    5.174500       1.104600      0.8192000    
 H    6.666800       1.201500      -1.180700    
 H    6.184200     -0.4757000     -0.8325000    
 H    5.411500      0.3949000      -2.151300    


%chk=000006449-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006449

0 1
O 1.233268 -1.308225 -1.046348
O 1.233183 -3.537762 0.393571
O 3.573102 0.333855 -0.588302
N -3.345709 1.130584 -0.504021
C -1.106529 -0.671606 -0.602400
C -2.149533 -0.819895 0.543800
C -2.765123 0.602552 0.771282
C -0.163141 -1.891615 -0.847616
C -1.838859 -0.227527 -1.922836
C -0.101419 0.373856 -0.125918
C -1.733078 1.630212 1.325450
C -3.291316 0.225372 -1.664424
C -0.360061 1.493258 0.682339
C -0.095722 -2.924952 0.328922
C -1.507628 -1.420174 1.780826
C 1.195007 -0.011135 -0.473882
C -0.534382 -2.360521 1.671734
C 0.748877 2.323619 0.980923
C -4.630270 1.822153 -0.329649
C 2.313317 0.799827 -0.185779
C 2.053964 2.003141 0.528869
C 4.741332 1.173286 -0.256346
C 5.970777 0.445711 -0.793367
H -2.974093 -1.485646 0.211747
H -3.574944 0.491298 1.529675
H -0.368358 -2.417114 -1.793152
H -1.855881 -1.066369 -2.645579
H -1.274383 0.599989 -2.386890
H -1.617772 1.488017 2.420991
H -2.151351 2.644076 1.178797
H -3.660295 0.780288 -2.548018
H -3.961821 -0.667935 -1.555688
H -0.781261 -3.757827 0.067430
H -1.848851 -1.079126 2.767603
H -0.063078 -2.817520 2.550200
H 0.608600 3.219112 1.598163
H -5.475760 1.138481 -0.060360
H -4.903108 2.349132 -1.262332
H -4.545826 2.580844 0.469918
H 2.880689 2.673778 0.782070
H 1.877088 -2.849868 0.064361
H 4.624129 2.170655 -0.728927
H 4.799009 1.307953 0.843834
H 6.883222 1.031605 -0.579022
H 6.071845 -0.546907 -0.322590
H 5.891944 0.304371 -1.884659


