%chk=000089216.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089216

0 1
 O    3.900100      0.7048000     -0.4040000    
 O    2.856200       2.471500      0.5444000    
 O   -4.790400     -0.4336000      0.4086000    
 O    1.230600      -1.977500       1.541600    
 N    1.787200     -0.8309000     -0.4069000    
 C    1.529600      0.5057000      6.7800000E-02
 C   0.4716000       1.210200     -0.7913000    
 C  -0.9364000      0.7703000     -0.4700000    
 C   -1.483700     -0.3050000      -1.151000    
 C   -1.655400       1.450300      0.5001000    
 C    2.808200       1.330300      9.7199999E-02
 C   -2.784600     -0.7113000     -0.8544000    
 C   -2.956300       1.044000      0.7970000    
 C    1.614500      -1.962400      0.3749000    
 C   -3.521000     -3.6899999E-02  0.1198000    
 C    1.930000      -3.229500     -0.3737000    
 H    1.197200      0.4460000       1.111800    
 H   0.5278000       2.298900     -0.6561000    
 H   0.6739000       1.049600      -1.859400    
 H    2.142600     -0.9369000      -1.353000    
 H  -0.9190000     -0.8367000      -1.911600    
 H   -1.223200       2.291400       1.034600    
 H   -3.213000      -1.554800      -1.389200    
 H   -3.524600       1.572900       1.557100    
 H    1.947400      -4.073800      0.3210000    
 H    1.163500      -3.404600      -1.133700    
 H    2.909300      -3.150400     -0.8544000    
 H    4.699400       1.272000     -0.3618000    
 H   -5.018600      -1.194000     -0.1534000    


%chk=000089216-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089216

0 1
O 3.812896 0.612862 -1.131837
O 3.223910 2.561336 -0.011268
O -4.810038 -0.770911 0.032429
O 1.295878 -1.230363 2.106537
N 1.776829 -0.802239 -0.129540
C 1.663295 0.646888 0.017814
C 0.516151 1.283469 -0.836285
C -0.866090 0.685160 -0.605202
C -1.765720 0.578127 -1.694190
C -1.321753 0.285184 0.679890
C 2.957087 1.384613 -0.329439
C -3.083585 0.101568 -1.518800
C -2.631516 -0.195731 0.871570
C 1.600905 -1.658629 0.950363
C -3.515357 -0.284088 -0.227866
C 1.779623 -3.140880 0.650181
H 1.464263 0.829154 1.090223
H 0.511625 2.365929 -0.598053
H 0.778501 1.199100 -1.909356
H 2.091407 -1.173454 -1.026605
H -1.437653 0.875624 -2.697979
H -0.649438 0.320560 1.544099
H -3.762584 0.030432 -2.378842
H -2.979981 -0.510238 1.859538
H 2.477717 -3.574400 1.385752
H 0.809583 -3.652719 0.777762
H 2.155079 -3.342439 -0.367835
H 4.622522 1.147259 -1.355208
H -5.350656 -0.791576 -0.795854


