%chk=000015981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015981

0 1
 O    2.772500      -2.501600     -0.6317000    
 N   -1.226900      -1.096300     -6.8000001E-03
 N   -3.212300     -0.4443000      -1.150900    
 C   0.8975000      -1.993800      0.8049000    
 C    1.729100      -1.549400     -0.4111000    
 C  -0.3122000      -1.112100       1.108800    
 C    2.365800     -0.1885000     -0.2510000    
 C    1.671200      0.9374000     -0.6616000    
 C    3.631800     -9.3300000E-02  0.3029000    
 C   -2.445400     -0.3730000     -4.0399998E-02
 C    2.259100       2.193700     -0.5139000    
 C    4.219700       1.162900      0.4505000    
 C    3.533300       2.306500      4.2199999E-02
 C   -2.772600      0.3687000       1.083100    
 C   -3.965100       1.083600       1.065500    
 C   -4.363800      0.2639000      -1.131400    
 C   -4.781600       1.035600     -5.9099998E-02
 H    1.541400      -2.035700       1.693400    
 H   0.5611000      -3.026400      0.6403000    
 H    1.122200      -1.557000      -1.323700    
 H  -0.8143000      -1.527600       1.991200    
 H   1.7200001E-02 -9.9699996E-02   1.365200    
 H   -1.028300      -1.648100     -0.8339000    
 H   0.6824000      0.8631000      -1.103600    
 H    4.181500     -0.9655000      0.6437000    
 H    2.353500      -3.365800     -0.7845000    
 H    1.725400       3.084000     -0.8334000    
 H    5.210300       1.251400      0.8868000    
 H    3.990800       3.284700      0.1576000    
 H   -2.156000      0.4228000       1.972500    
 H   -4.258300       1.677300       1.926200    
 H   -4.964500      0.1931000      -2.032100    
 H   -5.715400       1.584800     -9.4999999E-02


%chk=000015981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015981

0 1
O 2.838508 -2.496851 -0.831240
N -1.304087 -1.244241 0.063827
N -3.339056 -0.713953 -0.938896
C 0.939873 -2.090632 0.700438
C 1.729499 -1.566045 -0.535449
C -0.271968 -1.230658 1.106125
C 2.346292 -0.195935 -0.294157
C 1.633185 0.977109 -0.645216
C 3.616845 -0.076233 0.321544
C -2.431114 -0.436346 0.058325
C 2.176242 2.254106 -0.374803
C 4.162176 1.199673 0.586114
C 3.442494 2.368954 0.243925
C -2.638411 0.612966 1.007237
C -3.806298 1.390735 0.897401
C -4.458081 0.055654 -1.015269
C -4.743598 1.120494 -0.130298
H 1.640194 -2.147132 1.554202
H 0.596471 -3.127789 0.492109
H 1.042848 -1.507538 -1.406409
H -0.676394 -1.604873 2.072740
H 0.066495 -0.190410 1.276919
H -1.339065 -2.021324 -0.600066
H 0.655676 0.891639 -1.136766
H 4.177831 -0.985932 0.557068
H 2.468795 -3.407897 -0.954626
H 1.616512 3.153929 -0.653829
H 5.150382 1.283402 1.052907
H 3.867880 3.358086 0.448291
H -1.911936 0.807409 1.800900
H -3.986560 2.201621 1.612064
H -5.151872 -0.202455 -1.824455
H -5.660659 1.705868 -0.239959


