%chk=000009694.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009694

1 1
 O   0.2799000      4.6100002E-02 -0.2551000    
 N    3.133800      7.4900001E-02 -0.2474000    
 C    2.317200     -0.7416000      0.7438000    
 C   0.9553000     -0.1011000      0.9917000    
 C    3.300400       1.493100      0.2790000    
 C    4.503300     -0.5647000     -0.4245000    
 C    2.414400      0.1128000      -1.588000    
 C   7.1599998E-02 -0.8740000       1.961900    
 C   -1.088200      5.9400000E-02 -0.2142000    
 C   -1.765200       1.266600     -6.0300000E-02
 C   -1.796100      -1.134600     -0.3263000    
 C   -3.159300       1.280000     -1.7899999E-02
 C   -3.190400      -1.121100     -0.2840000    
 C   -1.020200       2.555100      6.1900001E-02
 C   -1.084700      -2.437100     -0.4907000    
 C   -3.871800      8.6300001E-02 -0.1298000    
 H    2.213900      -1.747400      0.3196000    
 H    2.892400     -0.8112000       1.674700    
 H    1.080400      0.8945000       1.429200    
 H    3.674400       1.444200       1.306000    
 H    4.028700       2.004900     -0.3586000    
 H    2.352400       2.033700      0.2270000    
 H    4.362700      -1.576000     -0.8173000    
 H    5.087000      3.9999999E-02  -1.125000    
 H    4.998200     -0.5970000      0.5507000    
 H    1.962300     -0.8613000      -1.796900    
 H    1.714400      0.9503000      -1.635600    
 H    3.169400      0.3092000      -2.358600    
 H  -3.3000000E-02  -1.927500       1.704500    
 H  -0.9077000     -0.4309000       2.162000    
 H   0.5760000     -0.8831000       2.938100    
 H   -3.704600       2.212100      0.1040000    
 H   -3.755700      -2.045400     -0.3692000    
 H  -0.2036000       2.608300     -0.6658000    
 H   -1.671200       3.414700     -0.1319000    
 H  -0.6110000       2.661900       1.071300    
 H   -1.447500      -2.932500      -1.399300    
 H   -1.291600      -3.101000      0.3548000    
 H  -2.7999999E-03  -2.344200     -0.6105000    
 H   -4.957300      9.6500002E-02 -9.6000001E-02


%chk=000009694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000009694

1 1
O 0.228919 -0.084873 -0.156283
N 3.170196 0.033364 -0.305205
C 2.359976 -0.647893 0.834307
C 0.962190 -0.075873 1.131889
C 3.001151 1.549501 -0.279523
C 4.646226 -0.311741 -0.105552
C 2.720650 -0.499089 -1.672982
C 0.295028 -0.922252 2.229118
C -1.207760 0.054720 -0.135350
C -1.804352 1.299537 0.196842
C -1.959070 -1.074622 -0.557153
C -3.218207 1.384685 0.128792
C -3.367782 -0.937594 -0.617798
C -0.986635 2.518246 0.586657
C -1.289111 -2.379950 -0.944343
C -3.996202 0.277087 -0.267968
H 2.280372 -1.711415 0.551044
H 2.976183 -0.563750 1.746575
H 1.046676 0.970147 1.490989
H 3.256061 1.929514 0.721801
H 3.679448 1.988948 -1.027199
H 1.958460 1.788327 -0.530212
H 4.751232 -1.404219 -0.020401
H 5.219323 0.049000 -0.973422
H 5.013658 0.172443 0.812265
H 2.963727 -1.571562 -1.729666
H 1.635492 -0.349415 -1.751741
H 3.264286 0.051250 -2.456669
H 0.248447 -1.989126 1.949731
H -0.735205 -0.569392 2.401526
H 0.844644 -0.828664 3.183040
H -3.705194 2.334172 0.377897
H -3.971638 -1.792241 -0.942108
H -0.092776 2.629624 -0.054814
H -1.587278 3.436360 0.480361
H -0.648703 2.477553 1.641097
H -2.031229 -3.095489 -1.334490
H -0.788396 -2.858060 -0.081025
H -0.520474 -2.228327 -1.723825
H -5.086131 0.363968 -0.318902


