%chk=000030689.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030689

0 1
 O    4.756700      0.4811000      0.2139000    
 O    4.306800       1.285000      -1.878400    
 O   -3.689700       2.631300      0.4645000    
 O   -6.009600       1.101700      0.4864000    
 N   0.1004000     -0.6693000     -0.3155000    
 N    2.566300      0.6873000     -0.4616000    
 N   -1.054400      -2.741400     -0.4717000    
 N   -3.452500      -2.846200     -0.2591000    
 C    1.149000     -0.9800000      0.6661000    
 C   0.5658000     -0.1549000      -1.613800    
 C    2.089300      0.2125000      0.8373000    
 C    1.509400       1.027700      -1.408400    
 C   -1.101400      -1.386000     -0.2941000    
 C    3.910900      0.8536000     -0.7971000    
 C   -2.338500     -0.7286000     -9.3599997E-02
 C   -3.503000      -1.513900     -8.4299996E-02
 C    6.966500      0.1658000       1.166300    
 C    6.157200      0.6200000     -5.1600002E-02
 C   -2.403500      0.6636000      9.0400003E-02
 C   -4.721100     -0.8679000      0.1131000    
 C   -3.634200       1.282900      0.2855000    
 C   -2.231300      -3.387400     -0.4438000    
 C   -4.793900      0.5162000      0.2968000    
 C    6.701600      -1.305100       1.494600    
 C    8.457600      0.3969000      0.9316000    
 C   -3.835400       3.435800     -0.7047000    
 C   -6.469200       1.219500       1.831200    
 H   0.7040000      -1.224500       1.638000    
 H    1.712300      -1.857500      0.3252000    
 H    1.081700     -0.9600000      -2.151800    
 H  -0.2790000      0.1693000      -2.233500    
 H    2.917100     -6.0899999E-02   1.497000    
 H    1.558000       1.049200       1.306900    
 H    1.931000       1.341200      -2.368500    
 H   0.9648000       1.883000     -0.9906000    
 H    6.650000      0.7573000       2.034800    
 H    6.419700      1.6799999E-02 -0.9294000    
 H    6.372700       1.673500     -0.2674000    
 H   -1.507900       1.280100      9.0300001E-02
 H   -5.640000      -1.452100      0.1241000    
 H   -2.197300      -4.460800     -0.5841000    
 H    7.286400      -1.619100       2.365700    
 H    6.971600      -1.953800      0.6543000    
 H    5.645300      -1.474600       1.727800    
 H    9.040100      0.1032000       1.811200    
 H    8.660900       1.454900      0.7350000    
 H    8.820600     -0.1828000      7.5999998E-02
 H   -4.766700       3.192900      -1.225900    
 H   -3.870100       4.484400     -0.3967000    
 H   -2.981400       3.295500      -1.375000    
 H   -5.779000       1.829600       2.422500    
 H   -7.446000       1.710700       1.817700    
 H   -6.580900      0.2303000       2.286300    


%chk=000030689-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030689

0 1
O 4.895218 0.396625 0.429150
O 4.076763 1.993162 -1.090984
O -3.872414 2.680502 -0.065151
O -6.242401 0.982560 -0.198468
N 0.161522 -0.798049 0.152395
N 2.619722 0.635458 0.153031
N -1.051405 -2.747240 0.643671
N -3.476303 -2.927537 0.447348
C 1.392164 -1.474428 0.627525
C 0.452453 0.176980 -0.927726
C 2.379787 -0.414817 1.164576
C 1.413893 1.267849 -0.415942
C -1.074131 -1.425849 0.313186
C 3.866850 1.084566 -0.239847
C -2.345765 -0.720265 0.185697
C -3.531497 -1.554110 0.201179
C 7.254096 -0.065774 0.845681
C 6.275154 0.830791 0.074559
C -2.510615 0.696177 0.111091
C -4.815773 -0.950789 0.050855
C -3.776965 1.271207 -0.027223
C -2.251717 -3.414900 0.716055
C -4.951006 0.433895 -0.052447
C 7.143276 -1.542370 0.403649
C 8.691827 0.474561 0.652188
C -4.421208 3.230989 -1.329370
C -6.690424 1.836208 0.930128
H 1.116816 -2.193275 1.413394
H 1.860686 -2.045047 -0.201741
H 0.941707 -0.362307 -1.768003
H -0.473756 0.623142 -1.314125
H 3.339772 -0.883194 1.424496
H 1.950658 0.045485 2.078063
H 1.732537 1.932461 -1.235180
H 0.907620 1.876698 0.361491
H 6.993766 0.003445 1.921283
H 6.408308 0.739004 -1.020106
H 6.387104 1.895824 0.350257
H -1.661198 1.378873 0.196626
H -5.702550 -1.589495 0.066898
H -2.186257 -4.472327 0.992731
H 7.813460 -2.183745 1.004720
H 7.431951 -1.653820 -0.659655
H 6.110694 -1.914840 0.519359
H 9.417058 -0.149558 1.204545
H 8.790855 1.514123 1.016688
H 8.980996 0.458383 -0.416249
H -5.415674 2.802912 -1.547161
H -4.492343 4.317008 -1.167703
H -3.727999 3.018592 -2.165177
H -5.981702 2.664984 1.106161
H -7.674785 2.223778 0.628064
H -6.791127 1.223492 1.845420


