%chk=000015868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015868

0 1
 O   -5.390600     -0.4333000      0.4083000    
 O    5.101500      0.9258000      0.2981000    
 O    4.576100       3.018600     -0.4074000    
 C   -4.061700     -0.9691000      0.3724000    
 C   -4.343300      0.4592000      6.3000000E-03
 C   -3.839900      -1.994000     -0.6732000    
 C   -4.067800       1.571100      0.9718000    
 C   -2.399600      -2.038800      -1.207200    
 C   -2.609700       2.036500      0.9578000    
 C   -1.366900      -2.323400     -0.1131000    
 C   -2.183300       2.625500     -0.3902000    
 C   5.4400001E-02  -2.329100     -0.6808000    
 C  -0.7224000       3.088100     -0.4158000    
 C    1.086100      -2.646400      0.4044000    
 C   0.3267000       1.994100     -0.1916000    
 C    2.503100      -2.683600     -0.1725000    
 C    1.768300       2.504700     -0.2883000    
 C    3.571700      -3.027300      0.8673000    
 C    2.794100       1.415100      2.8200001E-02
 C    4.978600      -3.091200      0.2933000    
 C    4.224600       1.897500     -6.7800000E-02
 H   -3.600700      -1.200500       1.322400    
 H   -4.326700      0.7628000      -1.031000    
 H   -4.100500      -2.977400     -0.2636000    
 H   -4.513700      -1.827500      -1.523400    
 H   -4.726200       2.415400      0.7352000    
 H   -4.320700       1.255000       1.991700    
 H   -2.165100      -1.078800      -1.683800    
 H   -2.334300      -2.809300      -1.984800    
 H   -2.469600       2.789800       1.742100    
 H   -1.972300       1.182600       1.212300    
 H   -1.585700      -3.291100      0.3539000    
 H   -1.423300      -1.561500      0.6723000    
 H   -2.827900       3.479200     -0.6321000    
 H   -2.320200       1.886300      -1.187400    
 H   0.1245000      -3.075100      -1.481800    
 H   0.2781000      -1.353200      -1.127800    
 H  -0.5336000       3.559300      -1.388700    
 H  -0.5862000       3.873300      0.3384000    
 H    1.033300      -1.890200       1.196900    
 H   0.8530000      -3.614800      0.8633000    
 H   0.1844000       1.547000      0.7987000    
 H   0.1765000       1.194900     -0.9272000    
 H    2.740200      -1.716100     -0.6277000    
 H    2.542500      -3.426800     -0.9789000    
 H    1.948500       2.900400      -1.295600    
 H    1.906100       3.343700      0.4053000    
 H    3.334000      -3.993700       1.327600    
 H    3.550000      -2.279200       1.668800    
 H    2.629100       1.038000       1.043600    
 H    2.673900      0.5911000     -0.6821000    
 H    5.699800      -3.335200       1.079400    
 H    5.048100      -3.858500     -0.4841000    
 H    5.264400      -2.130400     -0.1463000    
 H    6.031200       1.234500      0.2479000    


%chk=000015868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015868

0 1
O -5.612118 -0.421783 0.423661
O 5.203023 0.857854 -0.173733
O 4.677010 3.113181 -0.335331
C -4.195294 -0.964602 0.342343
C -4.451109 0.482991 0.048426
C -3.914119 -1.969337 -0.762002
C -4.093386 1.577209 1.040430
C -2.433304 -1.956638 -1.223619
C -2.595326 1.976232 0.980228
C -1.415761 -2.361812 -0.131272
C -2.156207 2.584635 -0.373849
C 0.038375 -2.398906 -0.652482
C -0.698572 3.106622 -0.383174
C 1.075946 -2.753594 0.436582
C 0.370070 2.001177 -0.215740
C 2.532571 -2.743011 -0.079165
C 1.811837 2.544043 -0.325677
C 3.578711 -3.053721 1.015680
C 2.861597 1.426774 -0.178026
C 5.031232 -2.948947 0.501628
C 4.290334 1.928703 -0.240829
H -3.790136 -1.200840 1.337483
H -4.483437 0.772287 -1.012501
H -4.190261 -2.985320 -0.416014
H -4.575544 -1.731989 -1.617300
H -4.726398 2.467472 0.853115
H -4.343856 1.213595 2.055472
H -2.178811 -0.943465 -1.599202
H -2.325117 -2.645822 -2.085462
H -2.392310 2.714708 1.782614
H -1.979592 1.083839 1.211028
H -1.689165 -3.358421 0.274157
H -1.472790 -1.651727 0.719291
H -2.841219 3.420561 -0.625028
H -2.271767 1.831833 -1.180707
H 0.112845 -3.129207 -1.485229
H 0.292447 -1.407861 -1.086272
H -0.511378 3.638134 -1.338702
H -0.574212 3.860808 0.422015
H 0.981769 -2.034009 1.277586
H 0.840959 -3.753373 0.857982
H 0.242871 1.499671 0.765212
H 0.206525 1.220325 -0.989601
H 2.758591 -1.748755 -0.518478
H 2.638159 -3.476228 -0.905917
H 1.949013 3.052421 -1.299592
H 1.984155 3.316475 0.448184
H 3.393971 -4.069842 1.420783
H 3.437193 -2.350864 1.862457
H 2.736059 0.890061 0.784001
H 2.737492 0.655878 -0.963866
H 5.760280 -3.192536 1.296662
H 5.204772 -3.646220 -0.340099
H 5.243701 -1.923751 0.144872
H 6.130580 1.219095 -0.209524


