%chk=000081978.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081978

0 1
 O   4.2700000E-02  -5.151800      2.2000000E-03
 N   6.0000003E-04  0.4091000     -5.9000002E-03
 C  -0.8368000       1.149200     -0.9516000    
 C   0.8042000       1.174600      0.9339000    
 C   1.1600000E-02 -0.9823000     -4.1999999E-03
 C   -2.248900       1.268700     -0.4869000    
 C    2.233400       1.300600      0.4774000    
 C   0.4032000      -1.697300      -1.147600    
 C  -0.3699000      -1.699900       1.141400    
 C   -3.182600      0.2923000     -0.8345000    
 C    3.160100      0.3408000      0.8599000    
 C   -2.636100       2.356300      0.2960000    
 C    2.604000       2.374500     -0.3201000    
 C   0.4131000      -3.092100      -1.145800    
 C  -0.3600000      -3.094800       1.143300    
 C   3.1700000E-02  -3.791000     -3.9999999E-04
 C   -4.503300      0.4038000     -0.3999000    
 C    4.484100      0.4573000      0.4369000    
 C   -3.956800       2.467700      0.7308000    
 C    3.928100       2.490800     -0.7431000    
 C   -4.890300       1.491400      0.3828000    
 C    4.868000       1.532200     -0.3647000    
 H  -0.8107000      0.6836000      -1.945600    
 H  -0.4251000       2.153300      -1.119800    
 H   0.7751000      0.7282000       1.936600    
 H   0.3844000       2.179100       1.076900    
 H   0.7144000      -1.171900      -2.047400    
 H  -0.6885000      -1.176600       2.039800    
 H   -2.895200     -0.5600000      -1.444600    
 H    2.873000     -0.5000000       1.484900    
 H   -1.920200       3.125200      0.5737000    
 H    1.881300       3.127800     -0.6202000    
 H   0.7216000      -3.628900      -2.038800    
 H  -0.6615000      -3.627400       2.041300    
 H   -5.230100     -0.3562000     -0.6709000    
 H    5.216000     -0.2890000      0.7316000    
 H   -4.258400       3.314700       1.340100    
 H    4.227300       3.327800      -1.367200    
 H   -5.918600       1.578100      0.7213000    
 H    5.899000       1.622900     -0.6941000    
 H  -0.2493000      -5.467700      0.8747000    


%chk=000081978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081978

0 1
O -1.027119 -5.927319 0.339556
N 0.462052 -0.455953 -0.222800
C -0.187334 0.370904 -1.278682
C 0.941901 0.298895 0.953632
C 0.047447 -1.808848 -0.044469
C -1.480541 1.054145 -0.820613
C 1.943408 1.392896 0.587847
C -0.114788 -2.669543 -1.173858
C -0.174425 -2.373083 1.244360
C -2.645527 0.288774 -0.546984
C 3.036335 1.108915 -0.270656
C -1.534069 2.460161 -0.648737
C 1.829724 2.689314 1.145005
C -0.477460 -4.018571 -1.024856
C -0.518235 -3.735394 1.399621
C -0.676239 -4.561361 0.266343
C -3.833870 0.916803 -0.113814
C 3.997498 2.101156 -0.561505
C -2.723934 3.092733 -0.218751
C 2.793716 3.684674 0.860350
C -3.877913 2.322174 0.050460
C 3.881095 3.393234 0.005738
H -0.394139 -0.277055 -2.145709
H 0.536545 1.135984 -1.611598
H 1.450423 -0.424689 1.618457
H 0.104831 0.746363 1.536863
H 0.075188 -2.288168 -2.182551
H -0.106564 -1.751304 2.141485
H -2.618021 -0.800056 -0.673063
H 3.117161 0.107100 -0.709170
H -0.640117 3.061829 -0.856196
H 0.982469 2.920926 1.802847
H -0.591329 -4.670105 -1.896582
H -0.679007 -4.138440 2.408606
H -4.726523 0.313968 0.088929
H 4.838473 1.869111 -1.225058
H -2.750358 4.181701 -0.096755
H 2.693440 4.683498 1.300196
H -4.802108 2.809613 0.381179
H 4.628426 4.162842 -0.218227
H -1.145910 -6.204726 1.281360


