%chk=000112487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112487

0 1
 O    3.702700       2.297900      0.3781000    
 O   -4.221300       1.781700      0.4100000    
 N    1.473200      -3.594800     -8.6800002E-02
 C   0.6319000      -2.432700      0.2298000    
 C  -0.5609000      -2.348900     -0.7615000    
 C    1.459100      -1.159100      0.2699000    
 C   -1.528200      -1.257000     -0.4516000    
 C    1.572300     -0.4714000       1.462100    
 C    2.074200     -0.7241000     -0.8877000    
 C   -2.613300      -1.504200      0.3892000    
 C   -1.348100      1.1400000E-02  -1.003300    
 C    2.331200      0.6984000       1.498300    
 C    2.833100      0.4457000     -0.8513000    
 C    2.961700       1.157000      0.3416000    
 C   -3.518400     -0.4828000      0.6782000    
 C   -2.253100       1.032600     -0.7142000    
 C   -3.338200      0.7855000      0.1266000    
 C    4.320300       2.710400     -0.8401000    
 C   -3.978100       3.054500     -0.1873000    
 H   0.2153000      -2.616300       1.229000    
 H  -0.2042000      -2.235100      -1.794600    
 H   -1.096700      -3.308900     -0.7579000    
 H    1.085300     -0.8179000       2.368700    
 H    1.986800      -1.266200      -1.824300    
 H    2.267000      -3.634000      0.5511000    
 H    1.853100      -3.512800      -1.028400    
 H   -2.763500      -2.487300      0.8274000    
 H  -0.5217000      0.2184000      -1.676600    
 H    2.427300       1.248400       2.430500    
 H    3.295900      0.7450000      -1.785500    
 H   -4.361400     -0.6811000       1.334500    
 H   -2.056100       1.992400      -1.179300    
 H    3.576300       2.948700      -1.607800    
 H    5.054700       1.976000      -1.187700    
 H    4.868100       3.634500     -0.6281000    
 H   -4.038400       3.004300      -1.279700    
 H   -3.032200       3.486200      0.1568000    
 H   -4.776100       3.726000      0.1463000    


%chk=000112487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112487

0 1
O 3.855394 2.401820 0.280495
O -4.481689 1.669599 0.576017
N 1.358265 -3.669791 -0.067539
C 0.625370 -2.406664 0.196505
C -0.548007 -2.314929 -0.833597
C 1.499020 -1.141003 0.190979
C -1.574180 -1.243221 -0.506931
C 1.406475 -0.186514 1.237147
C 2.417458 -0.886779 -0.855661
C -2.651237 -1.525372 0.377820
C -1.483761 0.063816 -1.040221
C 2.198021 0.977712 1.242319
C 3.219290 0.276994 -0.874821
C 3.108557 1.214049 0.183522
C -3.597599 -0.542144 0.719347
C -2.424261 1.067878 -0.712198
C -3.485577 0.761446 0.173973
C 4.814874 2.682989 -0.787962
C -4.399954 3.033046 0.051301
H 0.168830 -2.499139 1.201670
H -0.114469 -2.140300 -1.839324
H -1.023992 -3.313422 -0.847668
H 0.698199 -0.355611 2.057533
H 2.521537 -1.608891 -1.676112
H 2.162483 -3.808399 0.555578
H 1.633583 -3.781394 -1.051055
H -2.751630 -2.533809 0.798546
H -0.657594 0.309667 -1.718204
H 2.129136 1.713014 2.049961
H 3.918674 0.437373 -1.701503
H -4.430431 -0.757933 1.395864
H -2.318043 2.067270 -1.145098
H 4.310605 2.782931 -1.769417
H 5.592295 1.896240 -0.851014
H 5.280088 3.641004 -0.512492
H -4.484527 3.047765 -1.053295
H -3.456162 3.527068 0.355395
H -5.255441 3.564036 0.494539


