%chk=000030918.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030918

0 1
 O   0.6947000      -1.080300       1.454400    
 O    1.922600      -2.993300      0.2240000    
 N   -3.608800     -0.3189000      6.3600004E-02
 C   0.7408000     -0.9314000      1.3900000E-02
 C   -2.760900      0.8558000     -0.1726000    
 C  -0.6688000     -0.6634000     -0.4931000    
 C   -1.297700      0.5387000      0.2231000    
 C    1.694300      0.1885000     -0.2217000    
 C    2.270600      0.5607000      0.9855000    
 C   -3.328400       2.031800      0.6338000    
 C   -2.811600       1.200600      -1.670800    
 C    1.737700     -0.2907000       2.074900    
 C    1.257500      -2.244500     -0.4903000    
 C    2.039300      0.8267000      -1.402300    
 C   -4.979100     -4.7400001E-02 -0.3625000    
 C   -3.572300     -0.6934000       1.474900    
 C    3.207900       1.576500       1.054300    
 C   0.9208000      -2.603400      -1.912200    
 C    2.980200       1.857300      -1.349100    
 C    3.561300       2.230100     -0.1276000    
 H  -0.6687000     -0.4860000      -1.574200    
 H   -1.289300      -1.549300     -0.3100000    
 H  -0.7020000       1.432400     -1.0800000E-02
 H   -1.209400      0.4426000       1.310900    
 H   -3.295600       1.891100       1.717700    
 H   -2.699400       2.914400      0.4500000    
 H   -4.334800       2.346200      0.3439000    
 H   -1.994000       1.882600      -1.935900    
 H   -3.732300       1.719400      -1.960800    
 H   -2.708000      0.3140000      -2.307400    
 H    2.499000     -0.9690000       2.470600    
 H    1.290800      0.2971000       2.881000    
 H    1.592200      0.5473000      -2.349600    
 H   -5.512400      0.6975000      0.2355000    
 H   -5.559300     -0.9739000     -0.2541000    
 H   -5.075900      0.1959000      -1.423800    
 H   -2.580300     -0.9821000       1.831300    
 H   -4.170100      -1.606000       1.603300    
 H   -4.008200      3.8199998E-02   2.161200    
 H    3.659300       1.861300       1.998400    
 H  -0.1304000      -2.888600      -1.994900    
 H    1.150100      -1.779700      -2.590200    
 H    1.531500      -3.459800      -2.215400    
 H    3.265700       2.375400      -2.260500    
 H    4.293200       3.032800     -0.1031000    


%chk=000030918-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030918

0 1
O 0.436826 -0.966425 1.461153
O 1.764047 -2.998028 0.207674
N -3.607907 -0.275337 0.232087
C 0.608131 -0.840979 -0.008819
C -2.906964 0.949929 -0.304334
C -0.766697 -0.492259 -0.618965
C -1.370358 0.811066 -0.055432
C 1.702030 0.224207 -0.147466
C 2.344459 0.393809 1.103032
C -3.390934 2.268876 0.373912
C -3.157643 1.049288 -1.834418
C 1.680796 -0.506418 2.129102
C 1.189685 -2.191395 -0.563916
C 2.111541 0.959894 -1.275328
C -5.048135 -0.375154 -0.082701
C -3.359711 -0.576583 1.660900
C 3.410739 1.300588 1.242828
C 1.065061 -2.463486 -2.058048
C 3.180747 1.879204 -1.137568
C 3.827738 2.044717 0.110422
H -0.663942 -0.423217 -1.718433
H -1.471916 -1.319952 -0.411949
H -0.875369 1.692746 -0.506476
H -1.159442 0.856585 1.027692
H -3.175374 2.267302 1.458095
H -2.877506 3.142284 -0.069278
H -4.478581 2.413845 0.237086
H -2.458418 1.780183 -2.280341
H -4.181602 1.390922 -2.068126
H -2.999789 0.069897 -2.319693
H 2.308509 -1.383494 2.381104
H 1.384067 0.016746 3.055866
H 1.607849 0.841651 -2.242018
H -5.684674 0.394118 0.422677
H -5.412498 -1.367279 0.241853
H -5.218442 -0.300900 -1.168823
H -2.280895 -0.682970 1.860137
H -3.835542 -1.544757 1.902635
H -3.776771 0.184941 2.365190
H 3.910331 1.438101 2.208499
H 0.006369 -2.638368 -2.326024
H 1.416186 -1.600815 -2.653260
H 1.654465 -3.356362 -2.318373
H 3.507818 2.468119 -2.001607
H 4.653515 2.758958 0.202754


