%chk=000012941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012941

0 1
 O   0.5565000       1.934800      -1.287000    
 O   -2.202900     -0.4906000       1.568300    
 O    2.286700      -1.365200       1.501800    
 N  -0.8831000      0.6911000      4.7200002E-02
 N    1.462400      0.2434000      2.3000000E-02
 C   -1.972500       1.568500     -0.3074000    
 C    2.789000      0.6619000     -0.3610000    
 C   -3.092600      0.7888000      -1.001100    
 C   -2.490900       2.306900      0.9290000    
 C    3.580200       1.141700      0.8587000    
 C    3.518900     -0.4698000      -1.088400    
 C  -5.0299998E-02  -1.367000       1.064500    
 C   -4.279200       1.688400      -1.336700    
 C   -3.679400       3.203500      0.5917000    
 C    5.005600       1.538400      0.4835000    
 C    4.945100     -7.2099999E-02  -1.460000    
 C   -4.793100       2.425100     -0.1030000    
 C    5.730700      0.4095000     -0.2435000    
 C   0.3883000       1.014000     -0.4798000    
 C   -1.149200     -0.3461000      0.9466000    
 C    1.346800     -0.8288000      0.9134000    
 C  -0.2767000      -2.466200      2.9200001E-02
 C   -1.634400      -3.135000      0.2215000    
 C   -1.870500      -4.212800     -0.8362000    
 C   -3.235200      -4.862800     -0.6743000    
 H   -1.632800       2.333100      -1.016300    
 H    2.738500       1.506200      -1.058800    
 H   -3.464400     -3.9900001E-02 -0.3902000    
 H   -2.709700      0.3354000      -1.924300    
 H   -1.686600       2.921800       1.352700    
 H   -2.812800       1.642200       1.733700    
 H    3.654700      0.3943000       1.652000    
 H    3.073300       2.005400       1.307600    
 H    2.969700     -0.7370000      -2.000200    
 H    3.572300      -1.385000     -0.4901000    
 H  -0.1145000      -1.785300       2.078300    
 H   -5.086600       1.088300      -1.771500    
 H   -3.979500       2.418400      -2.098800    
 H   -3.345700       4.020900     -5.9500001E-02
 H   -4.066600       3.665300       1.507200    
 H    5.562800       1.814800       1.385800    
 H    4.979600       2.427600     -0.1585000    
 H    4.916600      0.7243000      -2.214000    
 H    5.459200     -0.9247000      -1.917800    
 H   -5.598000       3.110600     -0.3913000    
 H   -5.225000       1.701800      0.5997000    
 H    6.723700      0.7506000     -0.5572000    
 H    5.883600     -0.4293000      0.4467000    
 H   0.5181000      -3.219300      0.1062000    
 H  -0.2136000      -2.052800     -0.9861000    
 H   -1.696600      -3.576500       1.223300    
 H   -2.449500      -2.411600      0.1281000    
 H   -1.093700      -4.982700     -0.7627000    
 H   -1.799800      -3.774700      -1.838800    
 H   -4.037000      -4.124900     -0.7795000    
 H   -3.330200      -5.336100      0.3081000    
 H   -3.381000      -5.633100      -1.438100    


%chk=000012941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012941

0 1
O 0.529922 1.859616 -1.189703
O -2.317621 -0.537207 1.647025
O 2.251079 -1.523706 1.549904
N -0.954604 0.643894 0.149994
N 1.437220 0.139063 0.111920
C -2.054982 1.609549 -0.224766
C 2.821131 0.577076 -0.307618
C -3.249557 0.887732 -0.892576
C -2.491706 2.480288 0.979424
C 3.605482 1.198760 0.874457
C 3.605249 -0.564216 -0.998182
C -0.141357 -1.489988 1.120811
C -4.305775 1.929863 -1.337302
C -3.559706 3.506835 0.526295
C 4.982949 1.707751 0.382668
C 4.980842 -0.037909 -1.478498
C -4.764503 2.806295 -0.146969
C 5.785600 0.580484 -0.309931
C 0.344195 0.918628 -0.370656
C -1.222300 -0.427165 1.031823
C 1.276227 -0.956838 0.985909
C -0.360875 -2.588698 0.013027
C -1.665833 -3.395326 0.182479
C -1.829102 -4.460128 -0.927120
C -3.128226 -5.280318 -0.774625
H -1.587952 2.269827 -0.977578
H 2.637093 1.369906 -1.054821
H -3.707406 0.180073 -0.178536
H -2.891065 0.307975 -1.765356
H -1.610144 3.003892 1.397040
H -2.907386 1.832343 1.771311
H 3.746928 0.439347 1.664282
H 3.021408 2.033754 1.307356
H 3.020843 -0.948193 -1.856874
H 3.756476 -1.398301 -0.290353
H -0.228144 -1.978846 2.105376
H -5.172279 1.409022 -1.787737
H -3.876419 2.581414 -2.126580
H -3.106912 4.223397 -0.190261
H -3.896835 4.097723 1.399305
H 5.553091 2.115190 1.239302
H 4.837059 2.543847 -0.332470
H 4.832854 0.729230 -2.266796
H 5.550478 -0.866343 -1.941417
H -5.499716 3.559634 -0.489917
H -5.279327 2.167528 0.599472
H 6.752728 0.972741 -0.679229
H 6.017892 -0.210750 0.431815
H 0.506649 -3.274776 0.067130
H -0.338294 -2.110732 -0.987131
H -1.665703 -3.891504 1.173967
H -2.540834 -2.717808 0.177032
H -0.955403 -5.143193 -0.914521
H -1.820861 -3.961061 -1.917911
H -4.018277 -4.624797 -0.815660
H -3.149757 -5.812837 0.194625
H -3.225833 -6.034342 -1.576959


