%chk=000073661.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073661

0 1
 O    2.132000     -0.6501000      0.7677000    
 O    1.230000       2.428200     -0.8215000    
 O    3.974000       1.253000      -1.653200    
 O    4.573900      -1.884900       1.427800    
 N  -9.3099996E-02 -0.4294000     -8.3999997E-03
 N   -1.399300      -2.064600     -0.7796000    
 N   -1.789100       1.172100      0.6699000    
 N   -4.035400      0.3252000      0.2306000    
 N   -4.430500      -1.823200     -0.7469000    
 N   -3.689700       2.433200       1.191800    
 C    1.719100       1.098400     -0.8032000    
 C    1.126700      0.2928000      0.3475000    
 C    3.198800       1.046000     -0.4878000    
 C    3.345500     -0.3689000      4.9199998E-02
 C    4.534700     -0.5406000      0.9773000    
 C   -1.378900      3.7000000E-03  0.1538000    
 C  -0.1582000      -1.676400     -0.5732000    
 C   -2.172700      -1.024100     -0.3297000    
 C   -3.549800     -0.8327000     -0.2785000    
 C   -3.138100       1.242100      0.6666000    
 H    1.508600      0.6494000      -1.781800    
 H   0.8853000      0.9243000       1.210900    
 H    3.470400       1.807500      0.2522000    
 H    3.412800      -1.103500     -0.7635000    
 H    4.438800      0.1017000       1.858900    
 H    5.472800     -0.3126000      0.4622000    
 H   0.2657000       2.383100     -0.9382000    
 H    3.738700      0.5701000      -2.304000    
 H   0.7235000      -2.252900     -0.8181000    
 H    5.342100      -1.966600       2.018400    
 H   -4.070700      -2.688400      -1.126500    
 H   -5.427000      -1.660600     -0.6982000    
 H   -3.073100       3.157200       1.533800    
 H   -4.693700       2.546400       1.217200    


%chk=000073661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073661

0 1
O 2.296806 -0.971410 0.719454
O 0.837912 2.380621 0.353314
O 3.644049 1.968624 -1.128815
O 5.094385 -1.967301 0.063912
N -0.075622 -0.770116 0.408515
N -1.571997 -2.464444 0.018064
N -1.595191 1.183715 0.156926
N -3.900720 0.488585 -0.368868
N -4.529491 -1.771702 -0.598509
N -3.327987 2.740788 -0.157462
C 1.453730 1.167400 -0.107924
C 1.156291 -0.058423 0.809236
C 2.993219 1.208657 -0.072315
C 3.366041 -0.300095 -0.093748
C 4.732013 -0.609018 0.491027
C -1.305008 -0.154588 0.170879
C -0.295148 -2.161723 0.313568
C -2.214484 -1.213299 -0.069179
C -3.562795 -0.836407 -0.349276
C -2.923792 1.425630 -0.120022
H 1.130001 0.902187 -1.144937
H 1.044446 0.286474 1.857048
H 3.324600 1.690499 0.864143
H 3.321013 -0.693494 -1.130629
H 4.682727 -0.524564 1.596542
H 5.452392 0.137817 0.093161
H -0.171675 2.192996 0.321068
H 3.202860 1.775084 -1.995448
H 0.518010 -2.867635 0.453841
H 5.947190 -2.231519 0.490716
H -4.284962 -2.759777 -0.584679
H -5.481229 -1.468407 -0.792069
H -2.661672 3.486851 0.019657
H -4.301815 2.942896 -0.363690


