%chk=000068376.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068376

0 1
 O  -0.9808000     -0.1155000       1.863300    
 N   3.6300000E-02 -0.4877000     -0.1870000    
 C    1.268700      0.2069000      0.1089000    
 C    1.419200       1.416000     -0.8345000    
 C    2.449700     -0.7433000      6.6500001E-02
 C   0.5029000       2.564700     -0.4863000    
 C    2.774800      -1.463100       1.201400    
 C    3.172000     -0.8670000      -1.106000    
 C   -1.022700     -0.6057000      0.7208000    
 C  -0.7601000       2.621600      -1.053700    
 C   0.9417000       3.540400      0.3944000    
 C    3.860900      -2.337400       1.162500    
 C    4.258200      -1.741300      -1.144900    
 C   -2.187600      -1.357400      0.2823000    
 C   -1.606700       3.682500     -0.7320000    
 C   9.4899997E-02   4.601200      0.7162000    
 C    4.602500      -2.476500     -1.0500000E-02
 C   -1.179200       4.672200      0.1529000    
 C   -3.443000      -1.075500      0.8214000    
 C   -2.050100      -2.359900     -0.6780000    
 C   -4.560600      -1.796300      0.4006000    
 C   -3.167800      -3.080400      -1.098800    
 C   -4.423100      -2.798600     -0.5595000    
 H    1.214300      0.5995000       1.133400    
 H    2.449800       1.797100     -0.8056000    
 H    1.237800       1.130600      -1.880200    
 H  -5.0799999E-02 -0.8746000      -1.120900    
 H    2.201700      -1.363300       2.118500    
 H    2.922000     -0.3280000      -2.013200    
 H   -1.103100       1.857200      -1.745000    
 H    1.930900       3.492400      0.8405000    
 H    4.128500      -2.910600       2.045300    
 H    4.833100      -1.853800      -2.059500    
 H   -2.598800       3.737600      -1.170400    
 H   0.4273000       5.371500       1.406000    
 H    5.447300      -3.158400     -4.1299999E-02
 H   -1.838500       5.498000      0.4038000    
 H   -3.571700     -0.2949000       1.566800    
 H   -1.087800      -2.633400      -1.100500    
 H   -5.538200      -1.576500      0.8196000    
 H   -3.060300      -3.866000      -1.841100    
 H   -5.293000      -3.360800     -0.8862000    


%chk=000068376-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068376

0 1
O -0.564472 -0.197191 2.128856
N 0.094301 -0.397106 -0.093346
C 1.397314 0.279980 0.100697
C 1.525223 1.514417 -0.822967
C 2.548491 -0.732646 -0.044187
C 0.445768 2.583860 -0.665634
C 2.642093 -1.776791 0.915212
C 3.505966 -0.683976 -1.087180
C -0.794731 -0.615399 0.945545
C 0.130061 3.405443 -1.779401
C -0.218941 2.831423 0.563246
C 3.662210 -2.746845 0.832413
C 4.529718 -1.657146 -1.173748
C -2.059532 -1.358282 0.599397
C -0.812998 4.451420 -1.673526
C -1.164548 3.876377 0.671748
C 4.611635 -2.691839 -0.216663
C -1.464883 4.692793 -0.442255
C -3.188187 -1.155848 1.433634
C -2.155137 -2.261396 -0.491869
C -4.401848 -1.821765 1.165627
C -3.368780 -2.934142 -0.754841
C -4.497055 -2.709845 0.067697
H 1.376788 0.611321 1.155828
H 2.517620 1.970058 -0.625781
H 1.546133 1.187328 -1.882395
H -0.157580 -0.679570 -1.041944
H 1.909951 -1.818590 1.730988
H 3.470607 0.112573 -1.837702
H 0.629853 3.224103 -2.740143
H -0.020190 2.204860 1.439831
H 3.721113 -3.541339 1.584796
H 5.263315 -1.603620 -1.986293
H -1.039742 5.072964 -2.547430
H -1.669786 4.048131 1.628976
H 5.406018 -3.443721 -0.282285
H -2.198734 5.501837 -0.354342
H -3.084847 -0.477436 2.286576
H -1.279856 -2.480094 -1.116063
H -5.271284 -1.652677 1.810256
H -3.431618 -3.637864 -1.592106
H -5.438833 -3.230259 -0.139223


