%chk=000072479.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072479

0 1
 O    2.955600     -0.5116000      -1.522400    
 O    2.176300      -3.373300      -1.083600    
 O    4.099500      -2.983100      0.8105000    
 O  -0.4892000       1.669300      -1.386100    
 O    1.743500       1.909700      -1.653800    
 O  -0.3817000      0.9269000       2.080200    
 O   -4.663100      -1.936200       1.213700    
 O    6.733800     -0.9671000      -1.514600    
 O    7.395000       2.831700       1.010700    
 O   -8.735400      0.9342000      -2.391300    
 N    4.919500     -0.1047000     -0.3214000    
 N  -0.3040000     -0.4183000      0.1928000    
 N   -2.343500     -0.7410000       3.115300    
 N    7.061200      0.9242000     -0.2558000    
 N   -5.617200     -0.3297000     -0.9891000    
 C    1.687800      -1.037500      -1.072300    
 C    2.019800      -2.251300     -0.2152000    
 C    3.354200      -1.861000      0.3842000    
 C    4.014300      -1.124600     -0.7687000    
 C   0.9638000      6.1099999E-02 -0.3055000    
 C   -2.218300     -0.6119000       1.663500    
 C   0.7955000       1.293100      -1.179000    
 C   -3.403600      0.1583000       1.014300    
 C  -0.8793000      6.2199999E-02   1.361700    
 C    6.266300     -0.1166000     -0.7542000    
 C    4.471400      0.8932000      0.5363000    
 C   -4.779300     -0.5129000       1.294400    
 C   -3.429000       1.637500       1.446800    
 C    5.241000       1.878800       1.002800    
 C   -5.866900     -0.1117000      0.3216000    
 C    6.660400       1.938700      0.5994000    
 C   -7.039300      0.4460000      0.8055000    
 C   -8.018600      0.8030000     -0.1148000    
 C   -6.592100      2.9999999E-02  -1.853900    
 C   -7.798600      0.5943000      -1.471800    
 H    1.118900      -1.314700      -1.968300    
 H    1.273600      -2.520300      0.5372000    
 H    3.180400      -1.231700       1.261900    
 H    4.526400      -1.828000      -1.435000    
 H    1.529800      0.3964000      0.5638000    
 H  -0.8266000      -1.071800     -0.3836000    
 H    1.304300      -3.567000      -1.468100    
 H   -2.183400      -1.627400       1.249000    
 H   -3.218700      0.1450000     -6.8999998E-02
 H    3.555400      -3.469400       1.453100    
 H    3.438400      0.8701000      0.8384000    
 H   -5.089300     -0.2847000       2.321600    
 H   -4.266200       2.165200      0.9778000    
 H   -2.519000       2.162100       1.141000    
 H   -3.537900       1.738200       2.531400    
 H   -3.202300      -1.238800       3.345000    
 H   -1.581800      -1.316200       3.473900    
 H    8.032600      0.9353000     -0.5537000    
 H    4.856300       2.641100       1.669000    
 H  -0.5510000       2.470300      -1.948700    
 H   -5.554000      -2.319000       1.289700    
 H   -7.204000      0.6064000       1.865500    
 H   -8.947800       1.242800      0.2367000    
 H   -6.366300     -0.1551000      -2.899400    
 H   -9.504500       1.312000      -1.931000    


%chk=000072479-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000072479

0 1
O 2.894878 -0.811191 -0.682118
O 1.900450 -0.787826 2.851861
O 3.781435 -2.418583 1.996170
O 0.328445 0.379367 -2.480863
O 1.810206 1.873512 -1.487085
O -0.684417 -0.820558 2.121966
O -4.564554 -1.449922 -1.287834
O 6.745567 -1.943273 -0.799993
O 8.151671 2.387822 -1.866376
O -9.169171 2.698742 -0.877530
N 5.200827 -0.175304 -0.529167
N -0.614066 -0.494735 -0.170333
N -2.927442 -2.572052 1.828646
N 7.393054 0.245568 -1.318722
N -6.236494 0.544908 -1.287234
C 1.838262 -0.762052 0.348840
C 2.560745 -0.327259 1.648672
C 3.928571 -1.053225 1.514698
C 4.186806 -1.121815 -0.018941
C 0.677211 0.202064 -0.091962
C -2.628428 -1.571810 0.798444
C 1.018327 0.916561 -1.395774
C -3.710433 -0.428462 0.774485
C -1.232518 -0.946092 0.967843
C 6.472903 -0.716337 -0.882489
C 4.919586 1.184563 -0.671044
C -4.964001 -1.030717 0.061241
C -3.986205 0.127523 2.185832
C 5.852440 2.091225 -1.107215
C -6.130274 -0.052048 -0.058685
C 7.202806 1.658787 -1.460793
C -7.056732 0.220179 0.973013
C -8.098585 1.143113 0.741069
C -7.231999 1.435121 -1.519951
C -8.185295 1.769579 -0.526351
H 1.415306 -1.776627 0.483174
H 2.699347 0.774010 1.658706
H 4.747193 -0.530722 2.043941
H 4.527453 -2.136110 -0.282712
H 0.593353 0.992989 0.678436
H -1.029499 -0.645893 -1.094574
H 0.895511 -0.765939 2.711637
H -2.686013 -2.052491 -0.196730
H -3.339758 0.387039 0.119315
H 3.101549 -2.364914 2.729759
H 3.888118 1.479125 -0.465279
H -5.270253 -1.932463 0.625193
H -4.656927 1.002721 2.146503
H -3.046439 0.443712 2.673511
H -4.454708 -0.644015 2.823621
H -2.635779 -3.522328 1.582424
H -2.584906 -2.297218 2.756506
H 8.319073 -0.116655 -1.568804
H 5.601415 3.145598 -1.222390
H 0.600548 0.827633 -3.325859
H -4.973781 -0.756168 -1.893440
H -6.971754 -0.288947 1.937500
H -8.831220 1.362204 1.527849
H -7.292273 1.893170 -2.511626
H -9.796033 2.867417 -0.130579


