%chk=000131227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131227

0 1
 O    1.374400       1.516100       1.561000    
 O    1.914800      -1.741000      -1.860600    
 O   -4.452000     -0.4136000      0.3976000    
 O   -4.100900       1.563600      -1.301800    
 O   -2.620500      -1.112900       1.577500    
 N   -1.052800      0.6441000      0.2781000    
 N   -2.427200      0.6311000      3.3300001E-02
 C    1.144900     -0.1165000     -0.2247000    
 C    3.268700      0.3786000      0.6111000    
 C    3.427700     -0.5795000     -0.3955000    
 C    1.848900      0.7231000      0.7778000    
 C    2.125200     -0.9440000     -0.9730000    
 C  -0.1824000     -0.1263000     -0.4252000    
 C    4.349500      0.8837000       1.307600    
 C    4.673000      -1.066600     -0.7420000    
 C  -0.7903000      -1.018700      -1.470700    
 C    5.616200      0.4002000      0.9681000    
 C    5.776300     -0.5646000     -4.6200000E-02
 C   -2.925700       1.526200     -0.9305000    
 C   -3.128200     -0.3634000      0.7445000    
 C   -1.930800       2.503500      -1.517100    
 C   -5.241400      -1.404400       1.065800    
 C   -6.667400      -1.318700      0.5649000    
 H    4.230600       1.626300       2.088200    
 H    4.800400      -1.808900      -1.521500    
 H  -0.7242000       1.267700       1.005700    
 H  -0.6412000      -2.070700      -1.201300    
 H  -0.3293000     -0.8324000      -2.447600    
 H   -1.861400     -0.9023000      -1.645100    
 H    6.492200      0.7728000       1.492800    
 H    6.773500     -0.9225000     -0.2892000    
 H   -2.468400       3.256700      -2.101500    
 H   -1.238200       1.983300      -2.183200    
 H   -1.381600       3.022200     -0.7267000    
 H   -4.833700      -2.399100      0.8537000    
 H   -5.216900      -1.222800       2.145900    
 H   -7.299900      -2.063800       1.055500    
 H   -7.082500     -0.3230000      0.7530000    
 H   -6.705700      -1.479500     -0.5176000    


%chk=000131227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131227

0 1
O 1.014596 1.265534 1.409272
O 2.343842 -1.724256 -2.173105
O -4.452902 -0.327213 0.588742
O -4.166771 1.350659 -1.538115
O -2.583870 -1.718807 0.774368
N -1.028079 0.387999 -0.067024
N -2.420646 0.398145 -0.264674
C 1.201027 -0.275947 -0.502901
C 3.195036 0.354194 0.651451
C 3.572586 -0.522760 -0.400745
C 1.712095 0.534571 0.612574
C 2.343745 -0.950359 -1.167055
C -0.163778 -0.361125 -0.830609
C 4.150859 0.902733 1.522863
C 4.916238 -0.871588 -0.607492
C -0.707762 -1.221874 -1.938511
C 5.510413 0.553584 1.319547
C 5.888063 -0.321872 0.268289
C -2.987190 1.413594 -1.132842
C -3.138141 -0.662406 0.396542
C -2.020885 2.526099 -1.515483
C -5.314191 -1.402872 1.189987
C -6.719995 -0.822750 1.275370
H 3.847303 1.576376 2.330385
H 5.194447 -1.548474 -1.421433
H -0.612324 0.914321 0.738901
H -1.271346 -2.065217 -1.497513
H 0.121120 -1.623850 -2.538684
H -1.406837 -0.661559 -2.585242
H 6.281679 0.962857 1.981162
H 6.945482 -0.575229 0.134451
H -2.596156 3.297808 -2.047637
H -1.221667 2.155010 -2.182072
H -1.529597 2.968575 -0.631911
H -5.255945 -2.290186 0.534490
H -4.893303 -1.665440 2.176839
H -7.405890 -1.577245 1.701783
H -6.740118 0.070963 1.921528
H -7.087440 -0.537994 0.275603


