%chk=000016882.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016882

0 1
 O   -2.289700     -0.9227000      0.3992000    
 O    3.663100      0.8723000     -0.2312000    
 O   -1.458100      -2.960400     -0.2755000    
 N   -4.567900      0.7157000      1.0300000E-02
 C   -4.564400     -0.3935000      0.9525000    
 C   -5.391800      0.3998000      -1.159100    
 C   -5.051400       1.940100      0.6532000    
 C   -3.604300      -1.481100      0.4975000    
 C   -5.347600       1.522900      -2.181300    
 C   -4.212100       2.289300       1.870400    
 C    6.049700      0.9795000     -7.0799999E-02
 C    7.335400      0.1944000      0.1731000    
 C    4.820200      8.6800002E-02  1.9400001E-02
 C  -6.0999999E-03  -1.081600     -5.9200000E-02
 C   -1.288400      -1.765100     -3.9999999E-04
 C    2.454100      0.2287000     -0.1731000    
 C    8.563200       1.080800      3.9600000E-02
 C    1.172600      -1.789000      0.1780000    
 C   4.5499999E-02  0.2809000     -0.3534000    
 C    2.402600      -1.133800      0.1210000    
 C    1.275500      0.9362000     -0.4103000    
 H   -5.570000     -0.8067000       1.101700    
 H   -4.199100     -0.1090000       1.942000    
 H   -5.013200     -0.4989000      -1.657400    
 H   -6.434600      0.1995000     -0.8813000    
 H   -6.106900       1.862800      0.9430000    
 H   -4.954700       2.792600     -2.6799999E-02
 H   -3.590500      -2.283500       1.244900    
 H   -3.895900      -1.916700     -0.4638000    
 H   -5.942400       2.390000      -1.878300    
 H   -4.321000       1.847100      -2.384000    
 H   -5.770900       1.171100      -3.129000    
 H   -4.496800       1.719800       2.760300    
 H   -3.140200       2.160500       1.683800    
 H   -4.367900       3.344000       2.126400    
 H    6.078200       1.457000      -1.058400    
 H    5.960700       1.798200      0.6544000    
 H    7.317200     -0.2484000       1.175700    
 H    7.410800     -0.6308000     -0.5447000    
 H    4.911900     -0.7070000     -0.7327000    
 H    4.782300     -0.3407000       1.029300    
 H    8.535500       1.900700      0.7645000    
 H    9.472400      0.4987000      0.2197000    
 H    8.629000       1.511700     -0.9646000    
 H    1.148800      -2.850600      0.4108000    
 H  -0.8551000      0.8553000     -0.5544000    
 H    3.276600      -1.746000      0.3147000    
 H    1.310200       1.997100     -0.6427000    


%chk=000016882-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016882

0 1
O -2.398149 -0.942762 0.622993
O 3.760172 0.705940 0.472048
O -1.600381 -2.903377 -0.356491
N -4.875867 0.698788 -0.055163
C -4.734980 -0.374595 0.955138
C -5.901318 0.384154 -1.083072
C -5.001526 2.056572 0.532748
C -3.777415 -1.486876 0.520751
C -5.674386 1.123248 -2.415850
C -3.662618 2.594112 1.075328
C 6.153981 0.962348 0.248066
C 7.500246 0.353090 -0.208040
C 4.982984 0.003192 0.027725
C -0.046290 -1.111919 0.222682
C -1.379154 -1.758810 0.120731
C 2.536423 0.041668 0.361595
C 8.684801 1.317812 0.014617
C 1.091524 -1.843237 -0.200025
C 0.123502 0.211658 0.717495
C 2.380241 -1.280039 -0.135247
C 1.402229 0.783601 0.787028
H -5.719592 -0.846451 1.201013
H -4.351630 0.057043 1.896665
H -5.853197 -0.704200 -1.279083
H -6.937667 0.588675 -0.707188
H -5.777440 2.087219 1.340647
H -5.355734 2.736877 -0.262520
H -3.854189 -2.370666 1.183069
H -3.956412 -1.814706 -0.518730
H -5.753569 2.219542 -2.302300
H -4.668769 0.893313 -2.808182
H -6.428565 0.810686 -3.162101
H -3.259122 1.952976 1.879964
H -2.915063 2.625059 0.263807
H -3.791907 3.613185 1.486131
H 5.957379 1.899864 -0.306563
H 6.204361 1.228436 1.321253
H 7.686197 -0.592223 0.341714
H 7.440491 0.084273 -1.282471
H 4.883862 -0.266561 -1.044393
H 5.110397 -0.926958 0.619585
H 8.785019 1.581890 1.083998
H 9.638530 0.866226 -0.313559
H 8.542306 2.257315 -0.551302
H 0.944658 -2.859209 -0.581616
H -0.756351 0.777267 1.036054
H 3.241910 -1.865611 -0.467569
H 1.554582 1.800172 1.161618


