%chk=000051721.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051721

0 1
 O  -2.9800000E-02  -1.030800      -2.338000    
 O    3.161900     -0.9725000     -0.5731000    
 O    4.489900     -0.2239000      -2.296400    
 N    1.169600      0.6015000      -1.132000    
 C  -0.9269000     -0.1269000     -0.2062000    
 C  -0.2303000      0.9364000      0.6429000    
 C   0.9768000       1.316500      5.3700000E-02
 C   0.1063000     -0.2737000      -1.385600    
 C   -2.239700      0.3396000     -0.7407000    
 C   -1.064500      -1.429800      0.5082000    
 C    1.800900       2.274000      0.6233000    
 C  -0.6440000       1.526100       1.830900    
 C    2.309700      0.7365000      -2.007500    
 C   0.1754000       2.493100       2.418700    
 C    1.388800       2.863600       1.819300    
 C   -3.420700     -1.0000000E-03 -8.2199998E-02
 C   -1.537500      -2.550900     -0.1726000    
 C   -2.284400       1.115500      -1.898500    
 C  -0.7201000      -1.524700       1.856100    
 C    3.098300       2.717500      4.1700002E-02
 C  -0.2445000       3.140200       3.696400    
 C    3.444600     -0.1962000      -1.655200    
 C   -4.647900      0.4349000     -0.5822000    
 C   -1.666400      -3.768800      0.4954000    
 C   -3.511500       1.551400      -2.398300    
 C  -0.8489000      -2.742500       2.524000    
 C   -4.693300       1.211100      -1.740000    
 C   -1.321900      -3.864500       1.843700    
 C    4.190800      -1.885600     -0.1771000    
 C    3.719100      -2.666000       1.031400    
 H   -1.594700       1.259700       2.283400    
 H    1.979100      0.4126000      -3.003300    
 H    2.634800       1.765200      -2.129600    
 H    2.005100       3.622400       2.297400    
 H   -3.436300     -0.5715000      0.8416000    
 H   -1.822300      -2.505600      -1.220000    
 H   -1.389400       1.425600      -2.429400    
 H  -0.2998000     -0.7333000       2.457300    
 H    2.943500       3.314300     -0.8612000    
 H    3.632000       3.376200      0.7390000    
 H    3.780800       1.883600     -0.1279000    
 H  -0.8989000       2.482500       4.278500    
 H   0.6230000       3.366700       4.325700    
 H  -0.7812000       4.070800       3.487000    
 H   -5.567800      0.1775000     -6.5300003E-02
 H   -2.036200      -4.642100     -3.3799998E-02
 H   -3.547000       2.161100      -3.296500    
 H  -0.5706000      -2.821700       3.571000    
 H   -5.648400       1.553300      -2.127300    
 H   -1.420100      -4.813200       2.363100    
 H    4.404800      -2.574300      -1.002000    
 H    5.098100      -1.325500      7.5000003E-02
 H    4.482500      -3.375600       1.362000    
 H    3.482900      -1.988500       1.858700    
 H    2.800500      -3.215500      0.8002000    


%chk=000051721-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051721

0 1
O 0.006774 -0.969172 -2.431937
O 3.136241 -1.223510 -0.532402
O 4.769054 -0.031471 -1.695653
N 1.207648 0.618632 -1.174388
C -0.897691 -0.070303 -0.238671
C -0.230507 1.030549 0.591396
C 1.017003 1.393930 0.015507
C 0.110028 -0.223685 -1.423186
C -2.290355 0.387060 -0.726341
C -0.948466 -1.448992 0.469516
C 1.822850 2.411924 0.581376
C -0.708394 1.672246 1.739133
C 2.392751 0.529441 -2.019391
C 0.074854 2.686515 2.353283
C 1.316084 3.023983 1.762497
C -3.440346 0.121165 0.059127
C -1.515097 -2.548307 -0.228768
C -2.436145 1.152083 -1.910507
C -0.422682 -1.660311 1.766453
C 3.138301 2.909604 0.000716
C -0.416274 3.395352 3.603662
C 3.568163 -0.242421 -1.405086
C -4.706933 0.609212 -0.329245
C -1.564220 -3.826560 0.363816
C -3.702885 1.638119 -2.301921
C -0.475133 -2.942556 2.362035
C -4.844245 1.371285 -1.512001
C -1.046887 -4.030004 1.665741
C 4.195967 -2.094040 0.075205
C 3.475026 -3.101681 0.962601
H -1.685335 1.402230 2.156729
H 2.077550 -0.021977 -2.928441
H 2.762786 1.517916 -2.328559
H 1.920627 3.813842 2.226638
H -3.346280 -0.486020 0.966417
H -1.900131 -2.395757 -1.242248
H -1.563307 1.359625 -2.539107
H 0.028916 -0.827752 2.314654
H 2.993585 3.412801 -0.974296
H 3.592598 3.650669 0.679711
H 3.881848 2.107216 -0.150073
H -0.554532 2.687680 4.443135
H 0.294962 4.171691 3.934205
H -1.392684 3.885861 3.430505
H -5.585739 0.390526 0.287999
H -2.003773 -4.663990 -0.189593
H -3.799349 2.220889 -3.224958
H -0.070107 -3.088327 3.370268
H -5.827574 1.746269 -1.817254
H -1.088607 -5.022646 2.128493
H 4.757518 -2.571211 -0.748127
H 4.890616 -1.444590 0.638299
H 4.213067 -3.772803 1.439050
H 2.901054 -2.591208 1.754217
H 2.772005 -3.714217 0.373467


