%chk=000116751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116751

0 1
 O    2.522900      0.3750000      -1.444600    
 O    2.939500      -1.659900       2.044500    
 N   -1.930100     -0.6460000      0.3770000    
 C    1.576400     -0.2079000      0.6842000    
 C    4.084400     -0.6574000      0.1926000    
 C   0.3624000     -0.8010000       1.388000    
 C    3.735000     -0.3698000      -1.289700    
 C    2.856000     -0.9442000       1.044900    
 C    1.409000     -0.2609000     -0.8267000    
 C  -0.8714000     -3.4000000E-03   1.045100    
 C   -3.104500      8.2300000E-02  4.1999999E-02
 C  -0.9137000       1.297000       1.392500    
 C   -3.210900       1.453200      0.3794000    
 C   -2.091600       2.167600       1.096200    
 C    4.887100      0.4359000      0.8520000    
 C   -1.851100      -2.074700      8.8999998E-03
 C    4.802600      0.4337000      -1.988100    
 C   -4.189400     -0.5200000     -0.6262000    
 C    5.617900       1.295200      0.1267000    
 C    5.673900       1.196200      -1.311500    
 C   -3.044200      -2.634600     -0.6949000    
 C   -4.134000      -1.927500     -0.9958000    
 C   -4.365500       2.181900      5.3800002E-02
 C   -5.337100      0.2216000     -0.9447000    
 C   -5.423500       1.567700     -0.6055000    
 H    1.755300      0.8287000      0.9979000    
 H    4.702100      -1.566500      0.2206000    
 H   0.5068000     -0.7594000       2.476900    
 H   0.2924000      -1.867900       1.163000    
 H    3.617900      -1.325000      -1.818200    
 H    1.319000      -1.288500      -1.200400    
 H   0.5246000      0.2901000      -1.158500    
 H  -8.9699998E-02   1.761700       1.926000    
 H   -1.754700       3.009400      0.4796000    
 H   -2.474500       2.568100       2.042400    
 H    4.903500      0.5074000       1.935800    
 H   -1.710300      -2.671200      0.9187000    
 H  -0.9858000      -2.232200     -0.6460000    
 H    4.842300      0.4039000      -3.072900    
 H    6.211100       2.064600      0.6081000    
 H    6.423500       1.780200      -1.833600    
 H   -3.008100      -3.684600     -0.9730000    
 H   -4.973200      -2.383600      -1.508400    
 H   -4.440800       3.234400      0.3158000    
 H   -6.174300     -0.2438000      -1.460400    
 H   -6.314300       2.136400     -0.8547000    


%chk=000116751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116751

0 1
O 2.201320 -0.072857 -1.584966
O 3.071584 -1.561723 2.152446
N -1.839621 -0.610064 0.622731
C 1.493608 -0.272577 0.785458
C 4.000623 -0.543127 0.137355
C 0.411332 -0.695934 1.814561
C 3.528183 -0.701693 -1.345010
C 2.865289 -0.855160 1.128451
C 1.177715 -0.633527 -0.698771
C -0.944002 -0.039603 1.580377
C -2.909204 0.182482 0.119834
C -1.244569 1.141695 2.200360
C -3.241492 1.431131 0.714314
C -2.550068 1.881072 1.997266
C 4.618295 0.821695 0.422897
C -1.863223 -2.074098 0.366354
C 4.478256 -0.054985 -2.326825
C -3.609065 -0.258844 -1.051904
C 5.233924 1.521990 -0.574507
C 5.250870 1.009205 -1.952236
C -2.393519 -2.396475 -1.017757
C -3.230510 -1.537101 -1.660887
C -4.243267 2.230172 0.116990
C -4.617693 0.560707 -1.613958
C -4.938625 1.806751 -1.038182
H 1.592678 0.833646 0.798838
H 4.789637 -1.305077 0.320358
H 0.769830 -0.390692 2.812275
H 0.360173 -1.798278 1.862831
H 3.424711 -1.791037 -1.548103
H 1.118050 -1.738839 -0.826742
H 0.225479 -0.181694 -1.013602
H -0.501930 1.572960 2.880227
H -2.373789 2.975058 1.966675
H -3.226334 1.716963 2.866855
H 4.627614 1.175324 1.460986
H -2.478386 -2.592163 1.142178
H -0.841446 -2.474077 0.467518
H 4.453334 -0.404428 -3.364215
H 5.739840 2.469629 -0.356750
H 5.885994 1.513650 -2.690319
H -2.108982 -3.359598 -1.456096
H -3.641083 -1.783618 -2.647372
H -4.489634 3.194375 0.578909
H -5.142223 0.212213 -2.511932
H -5.716773 2.438751 -1.478109


