%chk=000147971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147971

0 1
 O    2.523000      0.2854000       1.229700    
 O   -1.351900       2.282800     -0.3169000    
 O    2.148200       3.499300      0.8864000    
 O    4.048100      -2.261100       1.091200    
 N   -2.612700      0.1624000      2.6200000E-02
 C   0.3643000      0.6134000      0.3297000    
 C  -0.5444000       1.163900     -0.7658000    
 C   -1.506100     -6.9100000E-02 -0.9467000    
 C    1.807600       1.159000      0.3630000    
 C  -0.5041000      0.6002000       1.638900    
 C   0.9112000     -0.7598000     -1.5100000E-02
 C   0.2918000       1.797400      -1.885000    
 C  -0.8248000      -1.207900      -1.789800    
 C   -2.039000      0.1503000       1.442900    
 C   0.4447000      -1.629400      -1.012400    
 C    1.144300       2.983200      -1.292600    
 C    1.724600       2.653700      0.1091000    
 C    2.123500     -0.9249000      0.6472000    
 C   -3.720000     -0.7725000     -0.1292000    
 C    1.184500      -2.788800      -1.211800    
 C    2.858500      -2.072100      0.4724000    
 C    2.364800      -3.014100     -0.4543000    
 C   -4.838100     -0.4380000      0.8550000    
 C   -5.998100      -1.413400      0.7277000    
 H   -2.101500      0.3017000      -1.803300    
 H    2.351400      0.9636000     -0.5907000    
 H  -0.5139000       1.614700       2.057700    
 H  -5.5599999E-02 -4.2599998E-02   2.406500    
 H  -0.3555000       2.202400      -2.672000    
 H   0.9544000       1.067000      -2.361800    
 H  -0.5393000     -0.8653000      -2.790300    
 H   -1.502800      -2.062900      -1.876300    
 H   -2.087700     -0.8795000       1.821100    
 H   -2.659800      0.7778000       2.091700    
 H   0.5244000       3.881300      -1.200100    
 H    1.975700       3.204000      -1.969700    
 H  -0.8189000       2.851300      0.2621000    
 H   -4.117600     -0.7085000      -1.149500    
 H   -3.380700      -1.805000      2.2800000E-02
 H   0.8744000      -3.522800      -1.949800    
 H    2.929200      -3.927300     -0.6356000    
 H   -4.493900     -0.4860000       1.893400    
 H   -5.203700      0.5810000      0.6789000    
 H   -6.423300      -1.387600     -0.2807000    
 H   -5.674800      -2.437900      0.9386000    
 H   -6.791000      -1.154800       1.436600    
 H    4.220300      -1.493800       1.664200    


%chk=000147971-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147971

0 1
O 2.573068 0.363931 1.147166
O -1.441703 2.395586 -0.299869
O 2.096128 3.679439 0.999733
O 3.952801 -2.388829 1.175489
N -2.375856 -0.061737 0.103265
C 0.360966 0.705677 0.246157
C -0.575658 1.311104 -0.830333
C -1.591669 0.158691 -1.144701
C 1.813312 1.300250 0.234341
C -0.427852 0.677907 1.581143
C 0.829222 -0.708134 -0.038424
C 0.297710 1.976797 -1.922013
C -0.931051 -1.155747 -1.715012
C -1.648252 -0.269007 1.381263
C 0.240041 -1.653753 -0.873086
C 1.167839 3.118503 -1.252561
C 1.769651 2.801641 0.171938
C 2.056861 -0.889807 0.622251
C -3.568297 -0.913486 -0.058414
C 0.900065 -2.914830 -0.935619
C 2.716691 -2.126846 0.567415
C 2.091929 -3.147901 -0.205412
C -4.733377 -0.540346 0.889158
C -5.997407 -1.378448 0.598779
H -2.303998 0.528997 -1.908669
H 2.223951 1.040972 -0.766146
H -0.775702 1.688130 1.851270
H 0.201461 0.288708 2.400461
H -0.347439 2.436090 -2.692286
H 0.948107 1.240068 -2.430316
H -0.580789 -0.968998 -2.753214
H -1.726482 -1.921045 -1.797777
H -1.299216 -1.326374 1.485605
H -2.358071 -0.087109 2.208991
H 0.607873 4.068641 -1.178558
H 2.037208 3.333362 -1.906561
H -0.872485 3.155347 -0.012018
H -3.926146 -0.797175 -1.101198
H -3.335531 -2.003284 0.078428
H 0.505177 -3.716652 -1.570172
H 2.598746 -4.116577 -0.263163
H -4.432764 -0.691943 1.943853
H -4.945461 0.538428 0.768290
H -6.359398 -1.210942 -0.433483
H -5.795634 -2.460792 0.712818
H -6.818582 -1.115364 1.289738
H 4.289709 -1.572442 1.625054


