%chk=000064169.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064169

0 1
 O  -7.2999999E-02   2.058000     -0.9585000    
 O   -5.186800      -1.325000     -0.2427000    
 N   -3.005700      0.4648000      0.1323000    
 C    1.322300      0.2721000     -0.1761000    
 C    3.595900      0.7110000      0.8547000    
 C    2.764900      -1.656000      0.6149000    
 C    3.438100     -0.3439000      -1.428600    
 C    2.153900       1.228100      0.7117000    
 C    1.325100      -1.132300      0.4727000    
 C    1.996300      0.1760000      -1.565300    
 C    3.571300     -0.6868000       1.495200    
 C    4.241000      0.6188000     -0.5381000    
 C    3.414200      -1.736300     -0.7767000    
 C  -0.1117000      0.7898000     -0.3161000    
 C  -0.7778000      0.9321000       1.053000    
 C   -2.227100       1.409500      0.9306000    
 C   -3.031700     -0.8592000      0.7690000    
 C   -4.376800      0.9552000     -6.5899998E-02
 C   -3.859100      -1.823700     -7.5900003E-02
 C   -5.173300     -5.2200001E-02 -0.8903000    
 H    4.174300       1.396000       1.484800    
 H    2.753400      -2.650700       1.074400    
 H    3.903600     -0.4073000      -2.418400    
 H    1.739800       1.310700       1.722100    
 H    2.173300       2.240200      0.2886000    
 H   0.7344000      -1.832300     -0.1320000    
 H   0.8852000      -1.129000       1.474300    
 H    2.017300       1.155300      -2.059600    
 H    1.424100     -0.4946000      -2.219300    
 H    3.128300     -0.6328000       2.497200    
 H    4.595600      -1.059100       1.620100    
 H    4.279000       1.613000      -1.000000    
 H    5.277100      0.2697000     -0.4483000    
 H    2.856900      -2.437200      -1.410300    
 H    4.435500      -2.127300     -0.6913000    
 H  -0.6713000      0.1042000     -0.9633000    
 H  -0.2826000       1.725400       1.625900    
 H  -0.7265000      3.7999999E-02   1.674100    
 H  -0.9670000       2.253100      -1.286000    
 H   -2.654200       1.523900       1.935800    
 H   -2.249900       2.404200      0.4695000    
 H   -3.462500     -0.7926000       1.776500    
 H   -2.035800      -1.303400      0.8483000    
 H   -4.364800       1.915500     -0.5940000    
 H   -4.870700       1.105300      0.9030000    
 H   -3.404800      -1.992400      -1.060000    
 H   -3.929800      -2.793800      0.4266000    
 H   -6.210900      0.2829000     -0.9871000    
 H   -4.763900     -0.1606000      -1.902100    


%chk=000064169-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064169

0 1
O -0.642995 0.775430 -0.962492
O -5.587143 -0.273552 -1.015767
N -3.063275 0.484834 0.222275
C 1.367811 -0.194685 0.041083
C 3.480724 1.200437 0.371954
C 3.473979 -1.248996 1.034113
C 3.435636 -0.595395 -1.414078
C 1.928077 1.213744 0.397588
C 1.920046 -1.235538 1.060941
C 1.885169 -0.581196 -1.378779
C 4.008811 0.162777 1.400173
C 3.972660 0.815292 -1.048927
C 3.968046 -1.631510 -0.387349
C -0.186415 -0.208673 0.029128
C -0.859226 0.035931 1.424721
C -2.161052 0.871023 1.353104
C -3.615388 -0.893771 0.361385
C -4.174888 1.465905 0.051712
C -4.486042 -1.237290 -0.858159
C -5.036571 1.083539 -1.162243
H 3.858792 2.208847 0.634962
H 3.845389 -1.990136 1.770235
H 3.776619 -0.870984 -2.432164
H 1.584473 1.524594 1.406182
H 1.529949 1.949852 -0.325200
H 1.531323 -2.246113 0.812833
H 1.573274 -0.995398 2.086476
H 1.479653 0.136711 -2.114606
H 1.492894 -1.584279 -1.650053
H 3.681884 0.441151 2.423003
H 5.117716 0.157901 1.401367
H 3.614581 1.559485 -1.788099
H 5.081227 0.822061 -1.083519
H 3.611512 -2.647397 -0.653397
H 5.076497 -1.656832 -0.408190
H -0.493206 -1.227506 -0.316804
H -0.175747 0.590804 2.094950
H -1.050406 -0.938529 1.913942
H -1.658041 0.738733 -0.892120
H -2.700959 0.804418 2.327633
H -1.896004 1.930970 1.188252
H -4.227603 -0.979578 1.291228
H -2.780560 -1.613809 0.431151
H -3.738820 2.471210 -0.101475
H -4.815904 1.500922 0.964846
H -3.857665 -1.244187 -1.775161
H -4.969490 -2.220134 -0.734865
H -5.910063 1.749682 -1.252916
H -4.426180 1.143533 -2.089472


