%chk=000017651.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017651

0 1
 O    6.466500      -3.165400      0.1012000    
 O    6.144600       3.343300     -0.4624000    
 O   -7.660900      0.9525000      0.5265000    
 O   -7.654700      -1.109100     -0.2276000    
 N    4.640800      2.0199999E-02 -2.4900001E-02
 N  -0.9230000     -0.2061000      0.5568000    
 N   -1.480700      0.1779000     -0.4980000    
 N   -7.053500     -5.3399999E-02  8.6300001E-02
 C    5.374200      -1.129100     -0.5169000    
 C    5.367500       1.223600      0.3277000    
 C    3.239100     -3.6499999E-02  0.1216000    
 C    5.766600      -2.046700      0.6300000    
 C    5.440500       2.173200     -0.8574000    
 C    2.543200       1.070000      0.6086000    
 C    2.548600      -1.199300     -0.2206000    
 C    1.157000       1.013800      0.7537000    
 C    1.162400      -1.255400     -7.5599998E-02
 C   0.4667000     -0.1489000      0.4116000    
 C   -2.877200      0.1201000     -0.3517000    
 C   -3.566900       1.226000      0.1352000    
 C   -3.559700      -1.043000     -0.6945000    
 C   -5.642500      4.9000001E-03 -6.1400000E-02
 C   -4.952900       1.168300      0.2808000    
 C   -4.945800      -1.100800     -0.5491000    
 H    6.299600     -0.7851000      -1.000800    
 H    4.871100      -1.667000      -1.328400    
 H    6.398300      0.9584000      0.6031000    
 H    4.999900       1.713300       1.236800    
 H    4.890900      -2.422100       1.167700    
 H    6.412500      -1.538900       1.354100    
 H    5.977000       1.718700      -1.696500    
 H    4.449700       2.470400      -1.214800    
 H    3.016600       2.007700      0.8766000    
 H    3.029400      -2.098500     -0.5886000    
 H   0.6225000       1.881800       1.131300    
 H   0.6328000      -2.167000     -0.3405000    
 H    7.265900      -2.830200     -0.3396000    
 H    5.638100       3.762300      0.2542000    
 H   -3.037200       2.136300      0.4033000    
 H   -3.024200      -1.908500      -1.075700    
 H   -5.462400       2.048900      0.6636000    
 H   -5.449500      -2.023400     -0.8258000    


%chk=000017651-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017651

0 1
O 6.634439 -3.267399 0.196285
O 6.435439 3.411212 -0.325668
O -8.034714 0.917083 0.309484
O -7.817945 -1.275302 -0.291114
N 4.741610 0.020999 -0.063046
N -0.908404 -0.518467 -0.164180
N -1.651103 0.528144 0.147275
N -7.318882 -0.121942 0.019756
C 5.608005 -1.101984 -0.474156
C 5.425047 1.254282 0.375477
C 3.349505 -0.088339 -0.081421
C 5.868783 -2.112179 0.674294
C 5.588419 2.295851 -0.762575
C 2.511128 1.030630 0.264495
C 2.700594 -1.317080 -0.442989
C 1.120003 0.927007 0.252270
C 1.305099 -1.410375 -0.458235
C 0.483296 -0.299746 -0.112462
C -3.054641 0.276226 0.090192
C -3.884819 1.390571 0.399452
C -3.650544 -0.978366 -0.243415
C -5.849254 0.016458 0.044517
C -5.283614 1.269099 0.378540
C -5.045757 -1.109241 -0.266566
H 6.572211 -0.686103 -0.823570
H 5.170099 -1.641235 -1.332451
H 6.435657 0.992185 0.735869
H 4.893670 1.704016 1.235479
H 4.917865 -2.534356 1.036320
H 6.371753 -1.606261 1.525339
H 6.128889 1.845406 -1.611646
H 4.600168 2.643225 -1.125907
H 2.959787 1.990014 0.537336
H 3.286453 -2.201692 -0.704496
H 0.489219 1.782397 0.513344
H 0.811586 -2.348555 -0.732675
H 7.572071 -3.001517 0.021193
H 5.921683 4.011104 0.270999
H -3.401108 2.339094 0.651949
H -2.995764 -1.822218 -0.477216
H -5.941894 2.109654 0.611612
H -5.533131 -2.055101 -0.517788


