%chk=000153077.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153077

0 1
 O   -1.529700       3.428100       1.673100    
 O  -0.7583000      -1.226900      -2.062500    
 O   -3.265300       1.515700       1.777300    
 N    3.417300     -0.9046000       1.455300    
 N    1.097300      0.5888000      -2.329200    
 C    2.509100      0.7277000      -2.495800    
 C    3.242300      0.2547000      -1.233300    
 C    3.009800      -1.232700     -0.9402000    
 C    3.805600      -1.682600      0.2846000    
 C    2.937800     -8.6300001E-02  -3.712400    
 C   0.3780000       1.253000      -1.309200    
 C  -0.7852000      0.7326000     -0.7293000    
 C    4.176400      -1.331000       2.632200    
 C    1.980400      -1.031000       1.704600    
 C   -1.442300       1.446600      0.2749000    
 C   0.8790000       2.483400     -0.8831000    
 C   -1.307800     -0.5715000      -1.186100    
 C   -2.535800      -1.109000     -0.5655000    
 C   -3.193000     -0.3949000      0.4386000    
 C   -2.670400      0.9090000      0.8953000    
 C  -0.9362000       2.681000      0.6993000    
 C    5.672000      -1.207700       2.395000    
 C    1.550000     -0.1733000       2.882400    
 C   0.2233000       3.195800      0.1190000    
 C   -3.041400      -2.343800     -0.9893000    
 C   -4.356000     -0.9156000       1.018900    
 C   -4.200500      -2.859100     -0.4084000    
 C   -4.856400      -2.146400      0.5936000    
 H    2.786700       1.766400      -2.707800    
 H    2.961500      0.8694000     -0.3731000    
 H    4.318500      0.4211000      -1.376700    
 H    1.949500      -1.491400     -0.8731000    
 H    3.391000      -1.829500      -1.777900    
 H    3.647600      -2.757200      0.4440000    
 H    4.862900      -1.540000      3.7099998E-02
 H   0.6518000     -0.2257000      -2.735600    
 H    2.575500      -1.119400      -3.685100    
 H    4.027800     -0.1011000      -3.815400    
 H    2.526200      0.3601000      -4.625600    
 H    3.934100      -2.360200       2.925500    
 H    3.958500     -0.6826000       3.486900    
 H    1.684500      -2.073500       1.877200    
 H    1.390600     -0.6585000      0.8656000    
 H    1.763000       2.942600      -1.313200    
 H    6.060300      -1.999700       1.747100    
 H    5.938200     -0.2340000       1.969600    
 H    6.202300      -1.300800       3.349600    
 H    1.854700     -0.5969000       3.844200    
 H    1.936700      0.8487000       2.802800    
 H   0.4561000     -0.1053000       2.905800    
 H   0.6191000       4.155600      0.4407000    
 H   -2.550400      -2.920800      -1.768400    
 H   -4.886900     -0.3808000       1.801900    
 H   -4.592200      -3.817200     -0.7375000    
 H   -5.758600      -2.549800       1.044100    
 H   -2.321300       2.984200       2.012300    


%chk=000153077-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153077

0 1
O -1.622612 3.391102 1.789014
O -0.948162 -1.360167 -2.034636
O -3.570121 1.857653 1.646543
N 3.709813 -1.139639 1.533200
N 1.120360 0.216603 -1.941723
C 2.513246 0.419356 -2.395156
C 3.542914 -0.048312 -1.323257
C 3.454260 -1.544892 -0.955155
C 4.226634 -1.872224 0.345868
C 2.688885 -0.303287 -3.747814
C 0.442409 0.975242 -1.022491
C -0.897557 0.606658 -0.622753
C 4.736782 -0.988751 2.600720
C 2.434738 -1.714408 2.048568
C -1.600869 1.425365 0.333974
C 1.033713 2.159347 -0.437020
C -1.539218 -0.585792 -1.169378
C -2.916761 -0.921312 -0.714743
C -3.607405 -0.104479 0.232025
C -2.953230 1.096621 0.777177
C -0.983059 2.592309 0.881832
C 5.783404 0.098115 2.287961
C 1.589703 -0.695309 2.837075
C 0.343632 2.942774 0.478366
C -3.558205 -2.074824 -1.233425
C -4.920717 -0.450210 0.644806
C -4.860756 -2.411559 -0.819057
C -5.545160 -1.597491 0.123024
H 2.672616 1.504517 -2.567191
H 3.398182 0.527157 -0.388943
H 4.559822 0.190838 -1.696951
H 2.390728 -1.831825 -0.838156
H 3.863211 -2.178158 -1.767180
H 4.213653 -2.979711 0.511467
H 5.286695 -1.588201 0.205543
H 0.569981 -0.607277 -2.276712
H 2.482239 -1.384833 -3.654200
H 3.724892 -0.184920 -4.110647
H 2.004059 0.111086 -4.508521
H 5.251733 -1.961841 2.808171
H 4.213820 -0.709234 3.533088
H 2.626261 -2.620209 2.679142
H 1.842772 -2.059770 1.181838
H 2.048541 2.447718 -0.722395
H 6.371985 -0.137424 1.382447
H 5.283545 1.069334 2.126583
H 6.494483 0.201316 3.129002
H 2.114603 -0.327769 3.737409
H 1.354409 0.176347 2.201431
H 0.640719 -1.156299 3.168954
H 0.794095 3.838891 0.914940
H -3.009860 -2.683965 -1.958264
H -5.421494 0.197270 1.370997
H -5.349587 -3.304206 -1.224251
H -6.558613 -1.863649 0.441693
H -2.572451 2.950025 1.941963


