%chk=000041452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041452

0 1
 O   -3.508200      0.5487000      -1.156400    
 O    2.598800       2.050200     -0.4190000    
 O    5.376800       2.184900     -0.3642000    
 O   -3.167700     -0.3339000       2.830400    
 N    3.890800      -1.028500      0.7200000    
 C   -3.056000       1.571000     -0.2351000    
 C   -3.681700       1.299700       1.147400    
 C   -1.525500       1.700400     -0.2847000    
 C    3.840500      -2.339000      8.6099997E-02
 C   -3.649500       2.892100     -0.7634000    
 C   -3.297500     -7.1400002E-02   1.641200    
 C    4.620300     -7.7299997E-02 -0.1075000    
 C   -3.159600      -1.106800      0.6012000    
 C   -3.303300     -0.7410000     -0.7382000    
 C    4.679800       1.312700      0.5301000    
 C  -0.8408000       1.326200      -1.435200    
 C  -0.8402000       2.190900      0.8207000    
 C    5.267800      -2.861600     -0.1157000    
 C    3.134400      -2.199900      -1.266700    
 C    3.054600      -3.291000      0.9940000    
 C    3.302200       1.907400      0.8141000    
 C    1.243300       1.935600     -0.3757000    
 C   0.5484000       1.444200      -1.480800    
 C   0.5490000       2.309000      0.7751000    
 C   -2.931600      -2.439900      0.9505000    
 C   -3.252900      -1.719400      -1.732300    
 C   -2.863300      -3.410900     -4.8999999E-02
 C   -3.028800      -3.052400      -1.387100    
 H   -3.400500       2.048400       1.893600    
 H   -4.778000       1.301300       1.080500    
 H   -4.743000       2.834800     -0.8193000    
 H   -3.303600       3.102900      -1.782700    
 H   -3.379400       3.743800     -0.1294000    
 H    5.660200     -0.3814000     -0.2680000    
 H    4.177700      5.0999999E-02  -1.100300    
 H    4.334100      -1.094800       1.636000    
 H    5.250300       1.274300       1.465800    
 H   -1.355900      0.9597000      -2.318000    
 H   -1.346500       2.513700       1.723300    
 H    5.860700      -2.790400      0.8040000    
 H    5.244500      -3.922400     -0.3955000    
 H    5.811100      -2.353900     -0.9193000    
 H    3.752600      -1.733900      -2.041000    
 H    2.197400      -1.636200      -1.181000    
 H    2.870000      -3.191100      -1.656800    
 H    2.033200      -2.929200       1.162400    
 H    2.981100      -4.290600      0.5508000    
 H    3.536100      -3.399300       1.973100    
 H    2.776600       1.263800       1.529800    
 H    3.421000       2.907400       1.247800    
 H    1.084200       1.154500      -2.380700    
 H    1.047800       2.728200       1.643900    
 H   -2.817100      -2.741000       1.987900    
 H   -3.374200      -1.449600      -2.778000    
 H   -2.689000      -4.449800      0.2158000    
 H   -2.981100      -3.812400      -2.161700    
 H    6.270600       1.823000     -0.4900000    


%chk=000041452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041452

0 1
O -3.713481 0.639104 -1.367590
O 2.539218 1.427084 -0.283323
O 5.212782 2.591498 -0.057950
O -3.685717 0.070590 2.791860
N 4.816918 -1.075104 0.762033
C -3.226196 1.750518 -0.441467
C -3.973493 1.595602 0.899470
C -1.699637 1.636442 -0.323906
C 4.520957 -2.395682 0.113919
C -3.645695 3.030370 -1.181795
C -3.754315 0.220621 1.535797
C 5.089145 0.095246 -0.091407
C -3.710942 -0.906663 0.574141
C -3.732292 -0.650779 -0.830232
C 4.774671 1.398333 0.682011
C -0.932299 1.425389 -1.503347
C -1.009607 1.785701 0.900997
C 5.636655 -2.827003 -0.884879
C 3.156829 -2.316881 -0.615570
C 4.425391 -3.428152 1.263597
C 3.287612 1.570692 0.976119
C 1.146390 1.512305 -0.221285
C 0.468093 1.358642 -1.458953
C 0.401442 1.728455 0.963409
C -3.715713 -2.252656 1.030312
C -3.793136 -1.722817 -1.751732
C -3.764905 -3.320562 0.119733
C -3.812418 -3.047313 -1.274803
H -3.694276 2.383507 1.618377
H -5.059246 1.702236 0.699682
H -4.740573 3.057778 -1.320771
H -3.164359 3.076056 -2.173035
H -3.331307 3.918603 -0.606693
H 6.148197 0.151189 -0.453158
H 4.441149 0.065489 -0.981741
H 5.533484 -1.186282 1.493570
H 5.292552 1.359408 1.669422
H -1.448981 1.285305 -2.459142
H -1.558074 1.940687 1.835523
H 6.612242 -2.919237 -0.369698
H 5.399597 -3.804054 -1.345657
H 5.746306 -2.089143 -1.701082
H 3.172486 -1.589190 -1.446520
H 2.365641 -2.008032 0.089213
H 2.892935 -3.303619 -1.037951
H 3.636650 -3.132501 1.977649
H 4.185522 -4.431078 0.868426
H 5.384270 -3.503199 1.814035
H 2.976513 0.780065 1.686011
H 3.108704 2.575197 1.406812
H 1.060338 1.190564 -2.363634
H 0.897795 1.845752 1.930482
H -3.695453 -2.419102 2.112897
H -3.811509 -1.499704 -2.822756
H -3.772782 -4.355137 0.477303
H -3.855222 -3.874995 -1.991824
H 6.112146 2.421254 -0.438096


