%chk=000124101.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124101

0 1
 O    3.383800       1.536400      0.5838000    
 O    5.940400       1.044700       1.268200    
 O    7.029500      -2.024500     -0.2704000    
 O    9.266800      -1.719700     -4.8099998E-02
 N    6.511800      0.4553000     -0.9082000    
 C   -3.014000       1.139900      7.8900002E-02
 C   -2.046800      0.1641000      0.1387000    
 C   -2.733900       2.631700      0.1855000    
 C  -0.6407000      0.5175000      0.2543000    
 C   -4.459100      0.8234000     -4.3499999E-02
 C   -2.468500      -1.274900      8.6300001E-02
 C   0.1282000      0.7029000     -0.8948000    
 C  -6.1600000E-02  0.6730000       1.513700    
 C   -2.468600       3.278500      -1.168800    
 C   -5.041200      0.6970000      -1.305000    
 C   -5.235200      0.6522000       1.102900    
 C   -2.759500      -1.959700       1.266300    
 C   -2.569400      -1.928100      -1.142100    
 C    1.476200       1.043500     -0.7843000    
 C    1.286600       1.013700       1.624100    
 C    2.055400       1.198700      0.4750000    
 C   -6.399200      0.3993000      -1.419700    
 C   -6.593000      0.3544000      0.9881000    
 C   -3.151200      -3.297600       1.217900    
 C   -2.961400      -3.266000      -1.190400    
 C   -7.175000      0.2280000     -0.2732000    
 C   -3.252300      -3.950600     -1.0400000E-02
 C    4.246100       1.100200     -0.4453000    
 C    5.644000      0.8720000      8.9100003E-02
 C    7.907400      0.1672000     -0.6698000    
 C    8.154400      -1.272500     -0.2987000    
 H   -1.878800       2.821700      0.8438000    
 H   -3.576900       3.143800      0.6674000    
 H  -0.3085000      0.5890000      -1.884100    
 H  -0.6470000      0.5337000       2.419400    
 H   -3.342800       3.203800      -1.823300    
 H   -1.619800       2.822000      -1.684300    
 H   -2.245100       4.342200      -1.035800    
 H   -4.449900      0.8255000      -2.208200    
 H   -4.796100      0.7486000       2.092900    
 H   -2.685600      -1.464700       2.231500    
 H   -2.346300      -1.408300      -2.070600    
 H    2.033700       1.204800      -1.702200    
 H    1.732500       1.134200       2.607600    
 H   -6.852300      0.3000000      -2.401700    
 H   -7.197200      0.2209000       1.880700    
 H   -3.378100      -3.830600       2.136500    
 H   -3.040400      -3.774400      -2.146800    
 H   -8.232200     -4.1000000E-03 -0.3626000    
 H   -3.557700      -4.992200     -4.8099998E-02
 H    3.923100      0.1418000     -0.8736000    
 H    4.293600       1.863700      -1.230300    
 H    6.157400      0.3258000      -1.851500    
 H    8.446700      0.3874000      -1.595200    
 H    8.272200      0.8034000      0.1419000    
 H    7.216600      -2.956200     -2.7100001E-02


%chk=000124101-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124101

0 1
O 3.670835 0.165161 -0.626616
O 6.545763 0.549371 -2.819430
O 6.930900 -0.359458 1.962389
O 9.229962 -0.319292 1.608130
N 6.284116 0.119647 -0.542180
C -2.893176 1.124943 -0.377590
C -2.044194 0.130097 0.081277
C -2.386046 2.447271 -0.952553
C -0.561464 0.166601 -0.143109
C -4.386432 0.981423 -0.354654
C -2.528701 -1.041640 0.889465
C 0.002931 0.390494 -1.426057
C 0.337262 -0.076523 0.936667
C -2.760136 2.678333 -2.440230
C -5.010145 -0.195871 -0.856799
C -5.226757 2.036788 0.098201
C -3.421335 -0.868247 1.983258
C -2.053343 -2.353894 0.613213
C 1.399815 0.399305 -1.635660
C 1.729769 -0.062882 0.750969
C 2.264134 0.177858 -0.537886
C -6.414502 -0.320373 -0.888268
C -6.633050 1.910866 0.077075
C -3.842117 -1.969705 2.757707
C -2.480780 -3.458938 1.380828
C -7.235837 0.730987 -0.417047
C -3.379596 -3.272611 2.457152
C 4.281542 0.406236 -1.938318
C 5.807202 0.364378 -1.803167
C 7.721166 0.056854 -0.292010
C 8.071869 -0.220863 1.157807
H -1.293968 2.526267 -0.823182
H -2.828642 3.275038 -0.360448
H -0.662309 0.539492 -2.283113
H -0.069072 -0.272653 1.934635
H -3.854334 2.644025 -2.585726
H -2.312027 1.905590 -3.091544
H -2.398724 3.665168 -2.783144
H -4.382023 -1.012911 -1.227021
H -4.779948 2.957714 0.490690
H -3.779139 0.137923 2.225329
H -1.348226 -2.504252 -0.212448
H 1.789860 0.567116 -2.644058
H 2.415683 -0.238259 1.585498
H -6.868655 -1.236533 -1.282570
H -7.257409 2.733107 0.445193
H -4.527718 -1.811845 3.598040
H -2.110944 -4.462722 1.142181
H -8.327100 0.634191 -0.439239
H -3.708272 -4.128320 3.057771
H 3.973813 -0.369359 -2.666902
H 3.991854 1.399633 -2.333436
H 5.622522 -0.019248 0.227830
H 8.198648 -0.725416 -0.914588
H 8.217062 1.002251 -0.588437
H 7.200511 -0.540514 2.902522


