%chk=000152646.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152646

0 1
 O    1.829700       2.965400      0.8462000    
 O  -0.5657000       2.848700     -7.2800003E-02
 O    4.775200      -2.738400      0.9178000    
 O   -3.221000      -2.514000      -1.803000    
 O   -3.297100      -3.474800      0.1693000    
 N    2.821200      -1.676700      5.9799999E-02
 N    3.343700      -3.947200     -0.3670000    
 N   -2.670800      -2.866600     -0.7319000    
 N   -5.287200     -0.7613000       1.377900    
 N   -3.360300     -0.3634000       2.638700    
 C   0.6044000       4.922500      0.1625000    
 C    3.208900     -0.3365000      4.2300001E-02
 C    1.962700       4.243100      0.2382000    
 C  -0.3856000       4.125100     -0.6705000    
 C    2.705200       1.992700      0.4389000    
 C    1.403300      -1.984200     -0.1448000    
 C    2.317400      0.6530000      0.4567000    
 C    4.488100      1.3600000E-02 -0.3899000    
 C    3.984400       2.342900      6.8000001E-03
 C    4.875900       1.353400     -0.4076000    
 C   0.6864000      -2.659100      0.8433000    
 C   0.7703000      -1.601300      -1.327300    
 C   -1.782300       2.245000     -0.2581000    
 C    3.727200      -2.776800      0.2664000    
 C  -0.6635000      -2.951200      0.6489000    
 C  -0.5797000      -1.893500      -1.521600    
 C   -1.296600      -2.568500     -0.5337000    
 C   -2.288300       1.382100      0.7140000    
 C   -3.526300      0.7679000      0.5251000    
 C   -2.514500       2.493900      -1.419000    
 C   -4.258500       1.016900     -0.6357000    
 C   -3.752600       1.879800      -1.607800    
 C   -4.053800     -0.1324000       1.538000    
 H   0.2066000       5.019100       1.180300    
 H   0.7167000       5.928600     -0.2558000    
 H    2.642900       4.854400      0.8422000    
 H    2.355400       4.175700     -0.7849000    
 H  -8.1000002E-03   3.999400      -1.692000    
 H   -1.321700       4.697400     -0.6974000    
 H    1.321800      0.4173000      0.8236000    
 H    5.198100     -0.7323000     -0.7361000    
 H    4.336100       3.370300      4.9999999E-03
 H    5.872800       1.625600     -0.7419000    
 H    1.166000      -2.957200       1.772000    
 H    1.316700      -1.081900      -2.110300    
 H   -1.191100      -3.476100       1.441200    
 H   -1.040000      -1.580300      -2.455200    
 H   -1.695100       1.204800       1.607500    
 H   -2.144600       3.136600      -2.212200    
 H   -5.223800      0.5644000     -0.8339000    
 H   -4.319400       2.068400      -2.515000    
 H    3.908900      -4.786000     -0.2843000    
 H    2.537500      -4.009300     -0.9786000    
 H   -5.638600      -1.385600       2.096600    
 H   -5.881100     -0.6414000      0.5670000    
 H   -3.893000      -1.016600       3.223900    


%chk=000152646-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152646

0 1
O 1.814981 2.823934 0.325145
O -1.043787 3.495875 0.539730
O 5.036984 -2.244437 1.261867
O -3.078411 -3.144293 -1.633189
O -3.230840 -3.767593 0.554909
N 2.914041 -1.867254 0.297101
N 3.608403 -4.050703 0.972470
N -2.551901 -3.327104 -0.464946
N -4.901058 -1.155450 0.037259
N -3.327816 -0.768939 1.834501
C 0.828189 5.041111 0.462895
C 3.272961 -0.518695 -0.104984
C 1.968841 4.210521 -0.136641
C -0.573684 4.739875 -0.082744
C 2.723137 1.862841 -0.131036
C 1.558291 -2.282598 0.108155
C 2.428199 0.541211 0.280146
C 4.428383 -0.271777 -0.889165
C 3.868512 2.128159 -0.922801
C 4.712663 1.050484 -1.282115
C 0.829905 -2.927124 1.150826
C 0.906556 -2.002227 -1.127605
C -2.258932 2.950127 0.095640
C 3.923558 -2.701844 0.885414
C -0.517181 -3.276862 0.965581
C -0.432603 -2.364460 -1.326371
C -1.137752 -2.994973 -0.273294
C -2.557277 1.666606 0.604953
C -3.746949 1.007585 0.229500
C -3.154109 3.595890 -0.795957
C -4.658900 1.656262 -0.649566
C -4.354899 2.938771 -1.150489
C -3.985784 -0.380044 0.757073
H 0.818476 4.911350 1.560374
H 1.053719 6.107176 0.258814
H 2.947213 4.609976 0.204155
H 1.942840 4.240128 -1.247427
H -0.557112 4.629595 -1.188579
H -1.266126 5.568620 0.176500
H 1.542048 0.373049 0.898850
H 5.095049 -1.093036 -1.162098
H 4.114070 3.143240 -1.247639
H 5.605524 1.250881 -1.884255
H 1.311669 -3.103412 2.116828
H 1.464361 -1.497621 -1.921599
H -1.101964 -3.731808 1.768892
H -0.944655 -2.164239 -2.270755
H -1.869889 1.170219 1.295036
H -2.939205 4.589844 -1.199673
H -5.615205 1.189513 -0.908734
H -5.061500 3.442048 -1.820039
H 4.313525 -4.652561 1.391259
H 2.763405 -4.460780 0.580289
H -5.013098 -2.139889 0.286516
H -5.169648 -0.890316 -0.908822
H -3.522022 -1.759449 2.091646


