%chk=000004651.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004651

0 1
 O    1.834200      0.4966000     -0.1732000    
 O    1.578600       2.782700     -8.4899999E-02
 N    5.343900     -0.6265000     -0.3311000    
 N   -4.426700      0.5366000      1.0400000E-02
 C    3.893500     -0.7317000     -0.2756000    
 C    5.896800     -0.3750000       1.002100    
 C    5.930400      -1.842400     -0.9001000    
 C    3.257400      0.6476000     -0.2086000    
 C   -6.499200     -0.7570000      8.6700000E-02
 C   -4.977200     -0.7969000     -2.1500001E-02
 C   -7.126400      -2.153200      0.1040000    
 C    7.404200     -0.1947000      0.9462000    
 C    5.639000      -3.052200     -2.8500000E-02
 C   -3.068000      0.8095000     -1.8500000E-02
 C  -0.3335000       1.358400     -7.9200000E-02
 C   -8.635600      -2.081900      0.2786000    
 C   -2.620900       2.130400      1.6000001E-02
 C   -2.148000     -0.2369000     -8.3400004E-02
 C    1.092000       1.644400     -0.1113000    
 C   -1.253700       2.404700     -1.4400000E-02
 C  -0.7807000      3.7500001E-02 -0.1138000    
 H    3.498900      -1.218700      -1.178100    
 H    3.536000      -1.336900      0.5679000    
 H    5.625200      -1.129500       1.748900    
 H    5.497400      0.5717000       1.383600    
 H    7.006800      -1.739100      -1.072700    
 H    5.511000      -2.011700      -1.900500    
 H    3.562700       1.190600      0.6916000    
 H    3.531400       1.237000      -1.092200    
 H   -6.911300     -0.1804000     -0.7514000    
 H   -6.782700     -0.2201000       1.001300    
 H   -4.584900      -1.386500      0.8160000    
 H   -4.699400      -1.298700     -0.9562000    
 H   -6.698500      -2.742900      0.9230000    
 H   -6.892500      -2.676300     -0.8304000    
 H    7.936200      -1.139600      0.8014000    
 H    7.699900      0.5036000      0.1556000    
 H    7.758600      0.2218000       1.896000    
 H    6.148400      -3.022700      0.9386000    
 H    4.572300      -3.228600      0.1350000    
 H    6.017700      -3.946700     -0.5382000    
 H   -5.063400       1.325200      4.9199998E-02
 H   -9.098700      -1.521100     -0.5395000    
 H   -9.064100      -3.089000      0.2856000    
 H   -8.898900      -1.594000       1.222500    
 H   -3.327200       2.955400      6.6399999E-02
 H   -2.452400      -1.278900     -0.1144000    
 H  -0.9265000       3.440700      1.3200000E-02
 H  -0.1008000     -0.8083000     -0.1650000    


%chk=000004651-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004651

0 1
O 1.882163 0.318362 -0.269745
O 1.608620 2.636233 -0.249122
N 5.479581 -0.712778 -0.169965
N -4.538654 0.513873 0.054706
C 4.003185 -0.848247 -0.194496
C 6.009809 -0.404983 1.182463
C 6.205513 -1.768654 -0.917040
C 3.352081 0.533395 -0.351313
C -6.717515 -0.659284 0.154505
C -5.184861 -0.803292 0.081601
C -7.440276 -2.024620 0.177808
C 7.452298 0.133838 1.165498
C 6.161891 -3.198460 -0.308648
C -3.167822 0.717598 -0.013826
C -0.349855 1.187107 -0.155352
C -8.975335 -1.882386 0.253093
C -2.645148 2.051098 -0.035541
C -2.246614 -0.375597 -0.064519
C 1.096158 1.485066 -0.227449
C -1.266281 2.275859 -0.104858
C -0.864487 -0.136478 -0.133983
H 3.709278 -1.477833 -1.054189
H 3.595821 -1.340693 0.719429
H 5.950141 -1.289161 1.866924
H 5.353298 0.368418 1.623466
H 7.259384 -1.452475 -1.027294
H 5.784836 -1.796447 -1.940407
H 3.659187 1.236994 0.443110
H 3.603983 0.986092 -1.326098
H -7.073309 -0.071980 -0.717205
H -6.989535 -0.085136 1.064387
H -4.826913 -1.387940 0.956506
H -4.911116 -1.382289 -0.826764
H -7.079439 -2.615159 1.043995
H -7.165509 -2.599292 -0.729716
H 8.179471 -0.629779 0.835373
H 7.527417 1.000240 0.484917
H 7.748774 0.456580 2.180501
H 6.630717 -3.230282 0.691770
H 5.122414 -3.562893 -0.211388
H 6.709313 -3.905970 -0.959294
H -5.143420 1.334649 0.089648
H -9.365212 -1.318139 -0.614904
H -9.469965 -2.870454 0.262500
H -9.280916 -1.343428 1.169516
H -3.338097 2.901316 0.002460
H -2.615651 -1.405367 -0.049451
H -0.864460 3.294561 -0.121652
H -0.163644 -0.975484 -0.172853


