%chk=000133689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133689

0 1
 O    1.606900      -1.599900     -0.8242000    
 O    1.885900      0.2802000      0.5438000    
 O   -4.629200      -1.780900      0.2296000    
 N   -7.619000       1.712900      0.5369000    
 N   -4.477600      0.2674000     -0.8467000    
 C    3.797300     -0.9118000     -0.3199000    
 C    4.277100      -1.929200      0.7226000    
 C    4.579700      -1.266300       2.062800    
 C    5.674500     -0.2157000       1.907300    
 C    4.581300      0.3817000     -0.3126000    
 C    5.437400      0.7225000      0.7515000    
 C    2.332800     -0.6420000     -0.1253000    
 C    4.436200       1.276500      -1.386900    
 C    6.140600       1.936900      0.7107000    
 C    5.132200       2.484600      -1.409800    
 C    5.984700       2.814600     -0.3613000    
 C   0.2260000      -1.428100     -0.7009000    
 C  -0.4293000      -2.058000      0.3337000    
 C  -0.4266000     -0.6369000      -1.620000    
 C   -6.204600       1.364500      0.4990000    
 C   -5.882700      0.5984000     -0.7758000    
 C   -2.496600      -1.092300     -0.4602000    
 C   -1.808400      -1.888000      0.4557000    
 C   -1.805700     -0.4667000      -1.498000    
 C   -3.934700     -0.9159000     -0.3329000    
 C   -8.449400      0.5082000      0.4779000    
 C   -7.928800       2.483300       1.743000    
 H    3.929100      -1.361400      -1.314200    
 H    5.191500      -2.415300      0.3571000    
 H    3.534500      -2.723500      0.8649000    
 H    3.669700     -0.8024000       2.462800    
 H    4.897200      -2.021300       2.790900    
 H    5.749000      0.3535000       2.841600    
 H    6.638000     -0.7155000       1.747300    
 H    3.775200       1.033500      -2.215600    
 H    6.818600       2.203800       1.518000    
 H    5.010100       3.165900      -2.246700    
 H    6.531700       3.752600     -0.3793000    
 H   -5.596000       2.277800      0.5215000    
 H   -5.914200      0.7721000       1.377300    
 H   -6.428100     -0.3463000     -0.8500000    
 H   -6.114800       1.199600      -1.662000    
 H   0.1069000      -2.677000       1.046300    
 H   0.1107000     -0.1566000      -2.431800    
 H   -2.327100      -2.380700       1.274100    
 H   -2.306000      0.1353000      -2.250900    
 H   -3.869300      0.9793000      -1.236600    
 H   -8.449400      5.9900001E-02 -0.5203000    
 H   -8.149600     -0.2451000       1.215600    
 H   -9.499800      0.7600000      0.6705000    
 H   -8.978700       2.796800       1.741500    
 H   -7.739500       1.911400       2.658800    
 H   -7.329700       3.400100       1.778300    


%chk=000133689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133689

0 1
O 1.674154 -1.114062 0.090760
O 2.314189 0.279468 1.878136
O -4.445384 -0.365154 -1.793184
N -8.248976 1.137154 0.594719
N -4.488550 1.131964 -0.012501
C 3.972456 -1.220735 0.774992
C 4.751148 -1.403076 2.102685
C 5.397208 -0.086858 2.584208
C 6.413843 0.420767 1.542154
C 4.742561 -0.369892 -0.257980
C 5.869010 0.414563 0.116821
C 2.603981 -0.575851 1.019337
C 4.307207 -0.372281 -1.608585
C 6.525107 1.180560 -0.881806
C 4.970998 0.390943 -2.589841
C 6.088618 1.176784 -2.222126
C 0.318766 -0.686073 -0.041435
C -0.483850 -1.571866 -0.796673
C -0.207101 0.526530 0.461908
C -6.844914 0.683474 0.712321
C -5.899734 1.495918 -0.208517
C -2.392961 -0.053815 -0.528677
C -1.830101 -1.251568 -1.040492
C -1.562839 0.828028 0.208876
C -3.844345 0.218387 -0.834349
C -8.881292 0.746570 -0.684296
C -9.071338 0.731374 1.753307
H 3.770739 -2.208053 0.321641
H 5.544943 -2.157057 1.931052
H 4.076036 -1.809422 2.878217
H 4.605643 0.665089 2.749508
H 5.906244 -0.251979 3.552254
H 6.755172 1.440844 1.802425
H 7.318252 -0.223429 1.574927
H 3.435609 -0.977211 -1.884956
H 7.393070 1.788277 -0.595467
H 4.621058 0.375481 -3.627785
H 6.611676 1.779678 -2.972905
H -6.528823 0.832848 1.763349
H -6.722828 -0.404550 0.481192
H -6.131028 1.301604 -1.268781
H -6.041939 2.572962 -0.005910
H -0.038058 -2.493580 -1.181888
H 0.417916 1.210876 1.035393
H -2.470498 -1.910472 -1.634976
H -1.946604 1.789803 0.569631
H -4.008887 1.483670 0.816640
H -8.308893 1.145345 -1.538273
H -8.959895 -0.362780 -0.811114
H -9.899299 1.172301 -0.734599
H -10.080358 1.172770 1.662964
H -9.190371 -0.377910 1.850601
H -8.616737 1.110142 2.686196


