%chk=000131652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131652

0 1
 O  -0.7630000      -2.326700     -0.5559000    
 O    3.738700      0.5076000     -0.4534000    
 O   -5.128500       1.082400       1.162900    
 O   -4.911500       1.080600      -1.097800    
 N   0.1555000       1.028800     -0.6682000    
 N    1.208400     -0.9387000     -0.5183000    
 N   -2.187600      0.3521000       2.749300    
 C    1.377900      0.3673000     -0.5720000    
 C  -0.8198000      6.4900003E-02 -0.6736000    
 C    2.546900       1.182400     -0.5490000    
 C  -0.1483000      -1.131200     -0.5808000    
 C   3.1300001E-02   2.413900     -0.7409000    
 C   6.0400002E-02  -3.496800     -0.4562000    
 C    4.110300      0.3207000      0.9008000    
 C    2.439000       2.524700     -0.6185000    
 C    1.139900       3.171700     -0.7183000    
 C   -2.181400      0.4038000     -0.7621000    
 C   0.2994000      -3.817400       1.011400    
 C  -0.6152000      -4.648300      -1.185100    
 C    4.191100      -1.169100       1.196800    
 C    5.435200       1.022200       1.158000    
 C   -3.002800      0.6004000      0.3049000    
 C   -4.424600      0.9410000      1.3700000E-02
 C   -2.551300      0.4638000       1.652700    
 H  -0.9578000       2.849000     -0.8155000    
 H    1.025100      -3.330700     -0.9531000    
 H    3.375000      0.7516000       1.597000    
 H    3.317500       3.160700     -0.6032000    
 H    1.095300       4.252600     -0.7729000    
 H   -2.574000      0.5105000      -1.770800    
 H   0.9090000      -4.719000       1.126400    
 H   0.8099000      -2.990200       1.515500    
 H  -0.6500000      -3.967400       1.537300    
 H  -1.1500000E-02  -5.559800      -1.139200    
 H  -0.7794000      -4.389500      -2.236700    
 H   -1.601000      -4.857700     -0.7556000    
 H    4.889100      -1.665200      0.5134000    
 H    3.219500      -1.652000       1.058400    
 H    4.519700      -1.352600       2.224500    
 H    6.216800      0.6359000      0.4945000    
 H    5.349500       2.094400      0.9519000    
 H    5.761000      0.8927000       2.194600    
 H   -6.067900       1.307800      0.9923000    


%chk=000131652-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131652

0 1
O -0.649452 -1.951473 0.208548
O 3.916513 1.192088 0.328956
O -5.693800 -0.165283 -0.627641
O -4.616101 1.665237 -1.573327
N 0.230897 1.441284 -0.380182
N 1.282072 -0.507888 0.256004
N -3.578674 -2.187840 1.092080
C 1.466804 0.827162 -0.035126
C -0.788473 0.440999 -0.278241
C 2.653892 1.626979 -0.032291
C -0.057154 -0.737851 0.104655
C 0.121024 2.785599 -0.693145
C 0.159640 -3.116685 0.738162
C 4.275264 -0.276523 0.407875
C 2.537507 2.991334 -0.369036
C 1.276946 3.561513 -0.692807
C -2.142959 0.710908 -0.588960
C 0.284169 -2.975617 2.261105
C -0.622449 -4.352017 0.291000
C 4.399730 -0.843153 -1.012627
C 5.585817 -0.293319 1.195601
C -3.316584 -0.012251 -0.358357
C -4.554015 0.592146 -0.914863
C -3.438592 -1.209421 0.416318
H -0.871436 3.180271 -0.910740
H 1.154892 -3.060314 0.257152
H 3.465215 -0.791153 0.951864
H 3.446142 3.598809 -0.361369
H 1.200087 4.622178 -0.942415
H -2.344747 1.657977 -1.113204
H 0.842125 -3.838238 2.669428
H 0.827566 -2.054849 2.532822
H -0.717759 -2.955684 2.723551
H -0.119011 -5.265809 0.655108
H -0.687509 -4.401534 -0.809278
H -1.646922 -4.319343 0.699748
H 5.155114 -0.282617 -1.591580
H 3.433182 -0.804188 -1.542684
H 4.713135 -1.902178 -0.963507
H 6.372703 0.264619 0.657983
H 5.450987 0.164427 2.190317
H 5.927005 -1.335150 1.333301
H -6.486990 0.288047 -1.020999


