%chk=000004904.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004904

0 1
 O   0.6847000     -0.1968000      -1.991000    
 N   -2.978900     -3.0099999E-02  0.1556000    
 C   -3.324100      -1.376900     -0.3210000    
 C   -4.046700      0.9319000     -0.1513000    
 C   -1.711400      0.4095000     -0.4271000    
 C   -4.622800      -1.872100      0.3174000    
 C   -5.369100      0.5122000      0.4923000    
 C  -0.5769000     -0.5344000      3.1999999E-03
 C   -5.768700     -0.8974000      7.0699997E-02
 C   0.8255000     -0.1440000     -0.5585000    
 C    1.947300      -1.130300     -0.1935000    
 C    1.206700       1.276700     -0.1172000    
 C    3.193600     -0.9268000     -0.7311000    
 C    1.443200       1.505300       1.216100    
 C    1.651600      -2.168800      0.6536000    
 C    1.295100       2.256700      -1.075300    
 C    4.211400      -1.821300     -0.3999000    
 C    1.789700       2.795500       1.616900    
 C    2.669600      -3.063100      0.9848000    
 C    1.641700       3.547100     -0.6744000    
 C    3.949500      -2.889300      0.4579000    
 C    1.889000       3.816300      0.6717000    
 H   -1.777500      0.4581000      -1.521300    
 H   -1.492900       1.421100     -6.7199998E-02
 H   -2.580200      -2.123500     -3.3799998E-02
 H   -3.415900      -1.397900      -1.414700    
 H   -4.181600       1.032800      -1.236400    
 H   -3.779000       1.922100      0.2372000    
 H   -4.477800      -1.998600       1.398000    
 H   -4.883500      -2.856700     -8.7300003E-02
 H   -6.158000       1.219200      0.2122000    
 H   -5.275400      0.5540000       1.585000    
 H  -0.5650000     -0.5790000       1.100100    
 H  -0.7782000      -1.538400     -0.3829000    
 H   -6.029100     -0.9007000     -0.9949000    
 H   -6.660000      -1.216700      0.6217000    
 H   0.6138000      -1.129800      -2.257200    
 H    3.410300     -0.1042000      -1.404900    
 H    1.366300      0.7228000       1.964000    
 H   0.6806000      -2.350000       1.095800    
 H    1.107300       2.085700      -2.129300    
 H    5.207600      -1.687000     -0.8113000    
 H    1.981200       3.005600       2.665100    
 H    2.467000      -3.894500       1.653800    
 H    1.718400       4.342700      -1.409800    
 H    4.742000      -3.585700      0.7158000    
 H    2.158400       4.821100      0.9839000    


%chk=000004904-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004904

0 1
O 0.777010 -0.284793 -2.037056
N -3.002402 -0.175839 0.074227
C -3.547992 -1.319681 -0.701768
C -3.990891 0.932170 0.150380
C -1.684098 0.285298 -0.436690
C -4.841854 -1.863210 -0.061697
C -5.300429 0.464956 0.818510
C -0.537236 -0.631980 0.034991
C -5.899376 -0.743613 0.064007
C 0.850334 -0.237262 -0.547490
C 1.984000 -1.185381 -0.095954
C 1.191314 1.221863 -0.190027
C 3.253569 -1.048626 -0.720008
C 1.487075 1.557194 1.155450
C 1.820924 -2.181986 0.897713
C 1.189625 2.242606 -1.170094
C 4.329113 -1.886605 -0.362856
C 1.770737 2.891703 1.517275
C 2.900069 -3.023744 1.258300
C 1.479055 3.578928 -0.808328
C 4.156466 -2.880757 0.630676
C 1.767516 3.910269 0.534888
H -1.669469 0.361064 -1.551183
H -1.506979 1.303640 -0.044939
H -2.787224 -2.120663 -0.743739
H -3.764077 -1.013806 -1.761709
H -4.227711 1.336761 -0.870707
H -3.540501 1.756849 0.733825
H -4.602159 -2.261265 0.943307
H -5.230440 -2.701106 -0.672597
H -6.020002 1.306072 0.845535
H -5.080461 0.175416 1.864437
H -0.508146 -0.594450 1.139595
H -0.748646 -1.682804 -0.247490
H -6.216961 -0.423233 -0.950188
H -6.802615 -1.117506 0.582577
H 0.709806 -1.237728 -2.300261
H 3.383637 -0.275524 -1.484952
H 1.513224 0.770471 1.919326
H 0.856493 -2.313870 1.398341
H 0.967942 1.977173 -2.206982
H 5.301659 -1.765298 -0.853349
H 2.001299 3.135793 2.560591
H 2.756525 -3.789462 2.029276
H 1.477981 4.360613 -1.576859
H 4.991423 -3.532488 0.911652
H 1.991675 4.946245 0.813545


