%chk=000054520.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054520

0 1
 O  -0.2803000     -0.2229000     -0.1318000    
 O   0.5743000       1.822200      0.4312000    
 O    4.222500      -2.494800      0.4307000    
 N   -3.962900     -0.3689000     -1.1400000E-02
 N    1.951400      1.9800000E-02 -0.1477000    
 C   -4.916800      -1.477800     -6.4499997E-02
 C   -4.261500      0.7291000     -0.9371000    
 C   -6.044700      -1.267200      0.9497000    
 C   -5.723500       1.170600      -1.055100    
 C   -7.073400     -0.1994000      0.5902000    
 C   -6.496900       1.175100      0.2593000    
 C   -2.590800     -0.8355000     -0.2197000    
 C   -1.595900      0.2780000      6.6000000E-02
 C   0.7500000      0.6603000      8.5400000E-02
 C    3.256400      0.5527000     -4.3200001E-02
 C    4.360000     -0.2412000     -0.3169000    
 C    4.217400      -1.670900     -0.7276000    
 C    3.402800       1.878600      0.3372000    
 C    5.639600      0.3033000     -0.2079000    
 C    4.682400       2.422900      0.4459000    
 C    5.800700       1.635300      0.1734000    
 C    4.089100      -3.869100      9.3999997E-02
 H   -5.304600      -1.647800      -1.076400    
 H   -4.423500      -2.414400      0.2278000    
 H   -3.723000       1.622800     -0.6012000    
 H   -3.905200      0.4991000      -1.950200    
 H   -5.613000      -1.034500       1.932300    
 H   -6.577400      -2.218600       1.075400    
 H   -6.241600      0.5427000      -1.790800    
 H   -5.732400       2.187100      -1.469500    
 H   -7.764900     -9.3000002E-02   1.435300    
 H   -7.678400     -0.5539000     -0.2540000    
 H   -5.878900       1.550700       1.082900    
 H   -7.339500       1.870400      0.1562000    
 H   -2.360600      -1.664000      0.4634000    
 H   -2.443100      -1.231400      -1.233400    
 H   -1.701000      0.6288000       1.100000    
 H   -1.720800       1.122800     -0.6179000    
 H    1.866300     -0.9572000     -0.4061000    
 H    5.068800      -1.950100      -1.363300    
 H    3.326800      -1.850100      -1.339400    
 H    2.592200       2.554300      0.5653000    
 H    6.520900     -0.2986000     -0.4143000    
 H    4.809500       3.460000      0.7430000    
 H    6.797100       2.059000      0.2589000    
 H    4.103500      -4.452700       1.018400    
 H    3.137800      -4.047900     -0.4166000    
 H    4.922900      -4.192800     -0.5365000    


%chk=000054520-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054520

0 1
O -0.205690 -0.739582 0.654705
O 0.215557 1.464071 -0.074696
O 3.555289 -2.237265 0.833830
N -3.787705 -0.291890 -0.505827
N 1.923534 -0.168741 0.174964
C -4.804014 -1.326949 -0.781358
C -4.091948 1.102589 -0.886678
C -5.780558 -1.537577 0.405342
C -5.549329 1.536685 -0.598024
C -6.770569 -0.374211 0.647636
C -6.129468 1.034354 0.749268
C -2.363584 -0.646381 -0.609475
C -1.654513 -0.412689 0.744204
C 0.629074 0.310093 0.213704
C 3.099666 0.549616 -0.162370
C 4.300009 -0.208885 -0.342132
C 4.283870 -1.723492 -0.352536
C 3.126979 1.961965 -0.299907
C 5.506718 0.474988 -0.610014
C 4.342527 2.615293 -0.592285
C 5.541161 1.881505 -0.738893
C 3.507908 -3.701325 0.864210
H -5.383818 -1.097390 -1.706072
H -4.280585 -2.283429 -0.974239
H -3.402240 1.759670 -0.320494
H -3.877226 1.288393 -1.971005
H -5.163857 -1.695388 1.312020
H -6.360468 -2.469593 0.235205
H -6.215078 1.195708 -1.416209
H -5.569222 2.643807 -0.632332
H -7.339365 -0.584626 1.576081
H -7.516272 -0.354144 -0.175477
H -5.335190 1.033979 1.521519
H -6.910540 1.743607 1.088987
H -2.251424 -1.710334 -0.890287
H -1.844843 -0.044283 -1.388314
H -2.045298 -1.093744 1.516087
H -1.770410 0.637499 1.063996
H 2.089807 -1.127106 0.529753
H 5.319972 -2.118075 -0.349308
H 3.767217 -2.104722 -1.263876
H 2.198290 2.524425 -0.183233
H 6.429802 -0.105507 -0.730828
H 4.350742 3.706185 -0.695162
H 6.485608 2.393129 -0.951066
H 2.925931 -3.972660 1.758103
H 3.012421 -4.109969 -0.041529
H 4.528930 -4.126706 0.943413


