%chk=000037053.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037053

0 1
 O   -1.502000      -2.008600     -0.8678000    
 N   -3.595000     -0.5595000      0.3336000    
 C   -2.203400     -0.1820000      0.6149000    
 C   -1.304300     -0.6280000     -0.5659000    
 C   -2.130700       1.331100      0.9028000    
 C   0.1660000     -0.3485000     -0.3138000    
 C   -2.529300       2.189400     -0.2931000    
 C   0.8516000      0.4751000      -1.186200    
 C   0.7807000     -0.9254000      0.7811000    
 C    2.843300      0.1596000      0.1446000    
 C    2.203100      0.7316000     -0.9549000    
 C    2.132000     -0.6688000       1.012600    
 C    4.288100      0.4341000      0.3920000    
 H   -1.921800     -0.7239000       1.525000    
 H   -1.614000     -0.1011000      -1.476500    
 H   -1.118900       1.607000       1.221100    
 H   -2.789200       1.574700       1.746500    
 H   -3.548800       1.984600     -0.6308000    
 H   -2.493100       3.246300     -6.3000000E-03
 H   -1.847500       2.067900      -1.138200    
 H   -3.895900     -0.1700000     -0.5580000    
 H   -4.212000     -0.1690000       1.044400    
 H   0.3652000      0.9255000      -2.046100    
 H   0.2438000      -1.581500       1.459200    
 H   -2.456100      -2.145100     -0.9969000    
 H    2.746100       1.379900      -1.637500    
 H    2.619900      -1.120900       1.872200    
 H    4.772300     -0.4142000      0.8875000    
 H    4.824500      0.6046000     -0.5477000    
 H    4.399100       1.320000       1.025100    


%chk=000037053-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037053

0 1
O -1.594895 -2.018382 -0.589180
N -3.519299 -0.602553 0.494137
C -2.177476 0.044504 0.581325
C -1.291648 -0.590415 -0.561074
C -2.196314 1.596055 0.582514
C 0.194720 -0.377108 -0.320779
C -2.894331 2.251505 -0.631464
C 0.878928 0.720172 -0.897476
C 0.921511 -1.264789 0.510140
C 2.979121 0.063161 0.210472
C 2.249686 0.938409 -0.633944
C 2.291319 -1.046538 0.768696
C 4.447441 0.309415 0.515424
H -1.731846 -0.298934 1.535698
H -1.576214 -0.125064 -1.532160
H -1.150284 1.952642 0.640640
H -2.696561 1.935850 1.511602
H -3.959063 1.956766 -0.707403
H -2.871821 3.352156 -0.538948
H -2.402065 1.986974 -1.584734
H -4.142148 -0.171748 -0.199478
H -3.989419 -0.717978 1.397093
H 0.342998 1.401124 -1.571861
H 0.404838 -2.143248 0.910376
H -2.553192 -2.038967 -0.258846
H 2.762385 1.790834 -1.097012
H 2.841203 -1.751992 1.404643
H 4.989569 -0.637740 0.685450
H 4.948380 0.846164 -0.309689
H 4.568178 0.924625 1.428741


