%chk=000006648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006648

1 1
 O   0.7328000     -0.4757000     -0.1650000    
 O    1.448200     -0.3407000       2.022400    
 N   -2.858400      0.4875000     -0.4636000    
 C   -2.788600     -0.8793000      -1.121300    
 C   -2.720100      2.6000000E-03   1.107800    
 C   -3.800100      -1.709200     -0.2803000    
 C   -3.958700     -0.9546000       1.073700    
 C   -1.316600      -1.380800      -1.022600    
 C   -1.164300     -2.5900001E-02   1.277500    
 C  -0.5060000      -1.049700      0.2776000    
 C   -4.215200       1.197000     -0.7463000    
 C   -1.835500       1.514900     -0.9851000    
 C    1.620000     -0.1695000      0.8212000    
 C    2.891000      0.4306000      0.2403000    
 C    2.593500       1.746200     -0.5019000    
 C    3.602000     -0.5709000     -0.6880000    
 C    1.957400       2.804400      0.4045000    
 C    3.990900      -1.867100      2.9600000E-02
 C    1.656500       4.083000     -0.3622000    
 C    4.671200      -2.843000     -0.9182000    
 H   -3.104700     -0.7951000      -2.167100    
 H   -3.044000      0.8803000       1.683600    
 H   -3.439600      -2.730800     -0.1202000    
 H   -4.770900      -1.781500     -0.7826000    
 H   -4.913700     -0.4286000       1.160100    
 H   -3.907300      -1.657400       1.911700    
 H   -1.309000      -2.469500      -1.164900    
 H  -0.7737000     -0.9891000      -1.894200    
 H  -0.7414000      0.9813000       1.222100    
 H  -0.9771000     -0.3738000       2.301100    
 H  -0.2958000      -1.991800      0.8002000    
 H   -4.201300       1.569500      -1.775700    
 H   -5.054000      0.5068000     -0.6592000    
 H   -4.310600       2.023500     -3.6800001E-02
 H   -1.918900       2.412000     -0.3645000    
 H  -0.8187000       1.139300     -0.9689000    
 H   -2.083500       1.744300      -2.026500    
 H    3.557500      0.6530000       1.084300    
 H    1.929100       1.555000      -1.354200    
 H    3.528300       2.145900     -0.9150000    
 H    2.959200     -0.8115000      -1.544400    
 H    4.507500     -0.1038000      -1.095500    
 H    2.633500       3.032800       1.236500    
 H    1.023700       2.435200      0.8383000    
 H    4.665900      -1.641300      0.8631000    
 H    3.105200      -2.355100      0.4510000    
 H    2.570500       4.510700     -0.7866000    
 H    1.210200       4.828100      0.3038000    
 H   0.9531000       3.893300      -1.179300    
 H    4.006800      -3.115100      -1.744600    
 H    4.944800      -3.759600     -0.3863000    
 H    5.583900      -2.409200      -1.339100    


%chk=000006648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006648

1 1
O 0.739103 -0.057346 -0.224364
O 1.274784 -0.376924 2.018292
N -3.400147 0.336749 -0.782461
C -2.800052 -1.073971 -1.121144
C -2.940292 0.463319 0.715389
C -3.254901 -1.923395 0.099561
C -3.348072 -0.918138 1.299993
C -1.263422 -0.969633 -1.221345
C -1.415924 0.686560 0.764041
C -0.638167 -0.485213 0.105984
C -4.924006 0.311209 -0.878337
C -2.922986 1.462532 -1.686805
C 1.656362 -0.060704 0.871237
C 3.049149 0.353721 0.433974
C 3.053035 1.810850 -0.116663
C 3.632035 -0.649264 -0.605842
C 2.540478 2.872001 0.883209
C 3.727159 -2.106028 -0.098784
C 2.642079 4.305926 0.320437
C 4.382101 -3.044591 -1.134522
H -3.240193 -1.403236 -2.077833
H -3.486180 1.312521 1.160545
H -2.522131 -2.723518 0.289514
H -4.220816 -2.419518 -0.088828
H -4.361496 -0.894740 1.732207
H -2.662165 -1.189662 2.117818
H -0.876219 -1.974226 -1.468010
H -0.950129 -0.314742 -2.052553
H -1.128870 1.644802 0.296007
H -1.118123 0.761483 1.824547
H -0.568992 -1.315896 0.832834
H -5.210357 0.138453 -1.927518
H -5.337307 -0.486061 -0.249755
H -5.315984 1.284148 -0.543387
H -3.368819 2.406892 -1.336702
H -1.831886 1.549408 -1.672514
H -3.259673 1.254245 -2.714544
H 3.663963 0.315645 1.353723
H 2.455024 1.848560 -1.048274
H 4.096586 2.053834 -0.398013
H 3.021610 -0.609731 -1.529277
H 4.645559 -0.292723 -0.876659
H 3.119334 2.800806 1.825198
H 1.485209 2.656080 1.154414
H 4.308043 -2.130388 0.844597
H 2.714861 -2.485218 0.152668
H 3.690956 4.565532 0.086521
H 2.267576 5.051027 1.045031
H 2.057030 4.413791 -0.612754
H 3.807336 -3.062273 -2.079824
H 4.443102 -4.080544 -0.756037
H 5.409835 -2.714815 -1.374693


