%chk=000003188.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003188

0 1
 O   -3.095600      -2.173500     -0.2615000    
 O   -1.190700     -0.8840000       1.277400    
 O    1.311500     -0.2839000      -1.751000    
 O   -5.829600      -2.576600     -8.0399998E-02
 O   -5.960000     -0.2942000     -9.1200002E-02
 N  -0.9234000      0.6340000     -0.4691000    
 N    2.551900      0.2107000      0.1488000    
 C   -2.888600     -0.7678000     -0.3467000    
 C   -3.938000      -1.337300      0.5418000    
 C   0.3491000       1.180100     -7.4600004E-02
 C   0.5400000       2.621000     -0.5651000    
 C  -0.4696000       3.637800      5.5999998E-03
 C   -1.582200     -0.3530000      0.2447000    
 C    1.427700      0.2757000     -0.6626000    
 C   -5.335500      -1.327500      9.5299996E-02
 C    4.824900     -0.4396000      0.8691000    
 C    3.738500     -0.5371000     -0.1994000    
 C  -0.3923000       3.638900       1.534900    
 C   -1.903900       3.346400     -0.4374000    
 C    6.129600      -1.193700      0.5433000    
 C    6.713800     -0.6706000     -0.7718000    
 C    5.922600      -2.706000      0.4498000    
 H   -3.201300     -0.2741000      -1.259900    
 H   -3.777900      -1.333000       1.612700    
 H   0.4205000       1.125900       1.017200    
 H    1.555000       2.954000     -0.3101000    
 H   0.4859000       2.647800      -1.662000    
 H  -0.1865000       4.631000     -0.3644000    
 H   -1.305700      0.9199000      -1.365900    
 H    5.061800      0.6194000       1.038700    
 H    4.426400     -0.8117000       1.822100    
 H    3.430900      -1.575700     -0.3586000    
 H    4.083400     -0.1426000      -1.160200    
 H    6.845700     -0.9918000       1.349500    
 H  -0.7930000       2.721700       1.977600    
 H   0.6398000       3.767700       1.877300    
 H  -0.9791000       4.472200       1.937900    
 H   -1.958300       3.128600      -1.508700    
 H   -2.522900       4.234400     -0.2608000    
 H   -2.375700       2.537800      0.1267000    
 H    2.558500      0.7300000       1.022000    
 H    7.719700      -1.077900     -0.9238000    
 H    6.799500      0.4211000     -0.7589000    
 H    6.114400     -0.9621000      -1.640000    
 H    5.468400      -3.092100       1.368300    
 H    6.882600      -3.215400      0.3126000    
 H    5.279200      -2.982200     -0.3915000    
 H   -6.763800      -2.562800     -0.3797000    


%chk=000003188-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003188

0 1
O -1.709244 -2.517944 -0.323340
O -0.205326 -0.371771 1.254556
O 2.528937 1.936062 -1.709516
O -4.522132 -2.819695 1.893404
O -4.751134 -2.257121 -0.357211
N -0.606701 0.893277 -0.661098
N 2.290181 0.359055 -0.014085
C -2.017223 -1.043529 -0.236439
C -2.589855 -1.990396 0.781491
C 0.418700 1.928692 -0.377706
C 0.087081 3.247527 -1.105576
C -0.928324 4.193475 -0.404042
C -0.869307 -0.154877 0.184227
C 1.847673 1.410310 -0.774836
C -4.043625 -2.354781 0.667907
C 3.807895 -1.457130 0.708928
C 3.598883 -0.276962 -0.260799
C -0.403027 4.699564 0.961885
C -2.347317 3.590630 -0.259094
C 5.163273 -2.201263 0.541857
C 6.378451 -1.291971 0.849555
C 5.304391 -2.866262 -0.849682
H -2.684340 -0.700897 -1.039410
H -2.132424 -2.027518 1.774529
H 0.417841 2.068920 0.720531
H 1.042906 3.782209 -1.251229
H -0.267111 3.013938 -2.131395
H -1.013786 5.077940 -1.070426
H -1.127003 0.980158 -1.537799
H 3.734396 -1.081649 1.750469
H 2.981092 -2.183693 0.571333
H 3.641523 -0.614168 -1.313774
H 4.393422 0.483950 -0.141836
H 5.158956 -3.014778 1.297854
H -0.353275 3.884116 1.708536
H 0.608131 5.136792 0.866515
H -1.072635 5.477036 1.373508
H -2.743846 3.245310 -1.233573
H -3.050678 4.346082 0.137613
H -2.353726 2.732645 0.438443
H 1.662286 -0.019726 0.712944
H 7.314735 -1.880296 0.856059
H 6.276074 -0.805352 1.837849
H 6.494029 -0.496673 0.089575
H 4.433042 -3.508183 -1.078654
H 6.211578 -3.497304 -0.890305
H 5.391527 -2.111396 -1.653219
H -5.487262 -3.052455 1.813477


