%chk=000003976.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003976

0 1
 O   0.7689000       2.499900     -9.9200003E-02
 O    1.460800      -2.759100      0.5182000    
 N   -1.454100      0.9885000      0.4273000    
 N    3.647700      -1.291600      3.1999999E-03
 C  -0.2318000      0.3875000      0.3320000    
 C    2.261400      0.6898000     -6.6799998E-02
 C    2.448000     -0.6730000      9.1499999E-02
 C   0.9211000       1.291600      4.3499999E-02
 C  -2.5000000E-02 -0.9279000      0.4816000    
 C    1.309500      -1.552600      0.3747000    
 C   -2.710900      0.4530000      0.1241000    
 C    3.382100       1.474800     -0.3339000    
 C    4.632800      0.8724000     -0.4316000    
 C   -3.850600      0.8876000      0.8120000    
 C   -2.844000     -0.5229000     -0.8713000    
 C    4.711600     -0.5001000     -0.2569000    
 C   -5.103700      0.3547000      0.5094000    
 C   -4.096900      -1.055700      -1.174200    
 C   -5.226800     -0.6170000     -0.4837000    
 H  -0.8335000      -1.612300      0.7198000    
 H   -1.449000       1.962200      0.7130000    
 H    3.301800       2.549700     -0.4682000    
 H    5.519700       1.460600     -0.6386000    
 H   -3.769000       1.644200       1.588800    
 H   -1.992200     -0.8661000      -1.452400    
 H    5.664500      -1.014500     -0.3240000    
 H   -5.983500      0.6965000       1.046700    
 H   -4.194400      -1.807000      -1.952500    
 H   -6.202700      -1.030700     -0.7206000    


%chk=000003976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003976

0 1
O 0.667635 2.438810 0.188738
O 1.651677 -2.957366 -0.098657
N -1.421930 0.827700 0.089112
N 3.862118 -1.209718 -0.164712
C -0.195516 0.197301 0.028003
C 2.322292 0.687977 0.006456
C 2.594081 -0.710391 -0.083215
C 0.933059 1.196399 0.079705
C 0.083465 -1.163047 -0.026247
C 1.442127 -1.701408 -0.073527
C -2.743894 0.328131 -0.005574
C 3.409873 1.597492 0.021736
C 4.719070 1.087638 -0.059206
C -3.781645 1.136433 0.539593
C -3.081877 -0.889343 -0.657000
C 4.892995 -0.316642 -0.154211
C -5.125726 0.727286 0.450462
C -4.432631 -1.289786 -0.735339
C -5.460920 -0.494210 -0.181222
H -0.703570 -1.919000 0.004258
H -1.320679 1.844535 0.237142
H 3.204273 2.669941 0.093920
H 5.589608 1.750038 -0.052280
H -3.525732 2.078126 1.040519
H -2.315617 -1.498658 -1.140261
H 5.896564 -0.751680 -0.224913
H -5.911331 1.359028 0.878627
H -4.680548 -2.227528 -1.244364
H -6.505423 -0.815559 -0.245646


