%chk=000119494.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119494

0 1
 O  -0.6417000       2.587200       1.040600    
 O   -1.363600      -2.630800      0.5223000    
 O   -5.746400     -9.7999997E-02 -0.1711000    
 O   -4.301500      0.7689000      -1.701300    
 N   5.2200001E-02 -0.8329000      0.7684000    
 N   -2.003100      0.8109000      0.5034000    
 C   0.4007000      0.5122000      0.3350000    
 C   -2.136400     -0.4503000     -0.2111000    
 C    1.699700      0.9779000      0.9724000    
 C  -0.7702000       1.412000      0.7064000    
 C   -1.154500      -1.423900      0.4266000    
 C   -3.565100     -0.9667000     -0.1567000    
 C    2.904900      0.4100000      0.2693000    
 C    3.431700     -0.8030000      0.6895000    
 C    3.470700       1.108400     -0.7876000    
 C   -4.537500       0.000000     -0.7815000    
 C    4.547900      -1.328700      3.8899999E-02
 C    4.586800      0.5826000      -1.438300    
 C    5.125400     -0.6359000      -1.025100    
 H   0.4704000      0.5055000     -0.7605000    
 H   -1.823600     -0.2798000      -1.248700    
 H    1.731400      0.7175000       2.039100    
 H    1.780600       2.072600      0.9448000    
 H   0.7747000      -1.437400       1.145800    
 H   -2.830800       1.374400      0.6729000    
 H   -3.658500      -1.922800     -0.6838000    
 H   -3.853600      -1.132400      0.8893000    
 H    2.999100      -1.348300       1.523000    
 H    3.057700       2.056900      -1.118900    
 H    4.968800      -2.276200      0.3622000    
 H    5.036300       1.121700      -2.267100    
 H    5.994800      -1.045000      -1.531500    
 H   -6.402200      0.5210000     -0.5572000    


%chk=000119494-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119494

0 1
O -0.653811 2.948137 0.224291
O -1.225174 -2.352185 -1.142662
O -5.581121 -0.999354 1.045217
O -4.906829 0.906690 -0.089410
N 0.145396 -0.525324 -0.733687
N -2.026619 1.138262 -0.243227
C 0.450586 0.882428 -0.417419
C -2.327093 -0.229595 -0.699849
C 1.468472 0.984759 0.764996
C -0.793303 1.734469 -0.116031
C -1.083875 -1.119503 -0.873839
C -3.311375 -0.951387 0.255137
C 2.802636 0.339043 0.424779
C 3.102211 -0.986366 0.835662
C 3.763651 1.042318 -0.349233
C -4.641013 -0.235839 0.358977
C 4.328618 -1.595881 0.481272
C 4.989354 0.437470 -0.703764
C 5.275102 -0.885959 -0.291651
H 0.926891 1.356965 -1.300931
H -2.809618 -0.179305 -1.698390
H 1.015964 0.510380 1.655391
H 1.584225 2.061989 0.978489
H 0.952418 -1.147382 -0.863521
H -2.848025 1.743617 -0.114232
H -3.464955 -1.984194 -0.104321
H -2.877941 -1.031674 1.270349
H 2.379477 -1.536882 1.451268
H 3.553555 2.072981 -0.662321
H 4.544555 -2.618214 0.811003
H 5.723167 0.996894 -1.294775
H 6.226828 -1.354702 -0.564959
H -6.437259 -0.495056 1.116890


