%chk=000038947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038947

0 1
 O    5.736400      5.1399998E-02 -0.3158000    
 O    4.572500       1.816500      0.2746000    
 O   -4.842400      0.6535000      -1.523200    
 N    2.203400      0.3572000      0.1103000    
 N    1.888400      -1.772000     -0.4366000    
 N  -0.6028000     -0.7272000       1.342900    
 N  -0.8280000     -9.7700000E-02 -0.9723000    
 N    4.624500      0.5977000     -6.0100000E-02
 N   -4.136400     -5.2999998E-03  0.6292000    
 C    1.290100     -0.6515000     -7.4199997E-02
 C    3.445400     -0.1503000     -0.1483000    
 C  -0.1231000     -0.4832000      0.1084000    
 C    1.902500       1.716100      0.5069000    
 C    3.225400      -1.465700     -0.4832000    
 C   -2.767400     -0.1680000      0.4516000    
 C   -1.934500     -0.5591000       1.479700    
 C   -2.152800      5.1100001E-02 -0.7644000    
 C   -5.052000      0.3846000     -0.3452000    
 C   -6.449200      0.4519000      0.2198000    
 H    2.395600       1.925100       1.459700    
 H    2.225700       2.396800     -0.2848000    
 H   0.8271000       1.845800      0.6467000    
 H    3.956900      -2.212900     -0.7567000    
 H   -2.316700     -0.7570000       2.476400    
 H   -2.663900      0.3607000      -1.664300    
 H   -4.489900     -0.1919000       1.564900    
 H   -6.750300     -0.5348000      0.5829000    
 H   -7.148300      0.7717000     -0.5579000    
 H   -6.483100       1.171000       1.043100    


%chk=000038947-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038947

0 1
O 5.860194 -0.251794 -0.076550
O 4.829993 1.741082 -0.547632
O -4.770807 1.731331 -0.626404
N 2.280535 0.465586 -0.041596
N 1.987740 -1.709256 0.624781
N -0.784924 -1.407820 1.006248
N -0.718765 0.679213 -0.232107
N 4.802221 0.486647 -0.204078
N -4.266938 -0.259688 0.498693
C 1.358036 -0.527029 0.314653
C 3.542676 -0.145443 0.058727
C -0.109643 -0.394929 0.364481
C 2.015503 1.879475 -0.407419
C 3.330720 -1.477655 0.465134
C -2.860354 -0.251626 0.426540
C -2.131854 -1.321589 1.025996
C -2.075839 0.758233 -0.203024
C -5.161780 0.699830 -0.015005
C -6.629426 0.369032 0.231713
H 2.472553 2.549021 0.338210
H 2.469263 2.100341 -1.385026
H 0.926750 2.009020 -0.453395
H 4.084400 -2.240801 0.637908
H -2.660042 -2.136258 1.542430
H -2.546013 1.619500 -0.679389
H -4.684028 -1.061315 0.981686
H -6.926287 -0.548095 -0.310276
H -7.243774 1.204655 -0.131800
H -6.837006 0.214833 1.306601


