%chk=000046160.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046160

0 1
 O   -1.686600       2.291300      6.6600002E-02
 C    2.322900     -9.8999999E-03  0.6865000    
 C    3.395300     -0.1741000     -0.3926000    
 C   0.9156000     -8.9699998E-02  8.6599998E-02
 C    4.801200     -6.1200000E-02  0.1993000    
 C  -0.1921000      0.1006000       1.129100    
 C    5.872300     -0.1913000     -0.8832000    
 C   -1.585500     -4.9300000E-02  0.5724000    
 C   -2.259100       1.054800      7.0400000E-02
 C    7.271800     -0.1128000     -0.2944000    
 C   -2.172900      -1.306600      0.5742000    
 C   -3.547400      0.8987000     -0.4412000    
 C   -4.148400     -0.3602000     -0.4450000    
 C   -3.461400      -1.462900      6.3000001E-02
 C   -5.525800     -0.5273000     -0.9916000    
 H    2.442100     -0.7894000       1.448400    
 H    2.449900      0.9568000       1.188500    
 H    3.278500      -1.148200     -0.8829000    
 H    3.260200      0.5945000      -1.163400    
 H   0.8095000      0.6710000     -0.6974000    
 H   0.7903000      -1.062400     -0.4064000    
 H    4.910900      0.9042000      0.7084000    
 H    4.943600     -0.8430000      0.9553000    
 H  -8.3800003E-02   1.080600       1.611300    
 H  -5.3900000E-02 -0.6274000       1.940100    
 H    5.748800      0.6044000      -1.627000    
 H    5.757400      -1.146800      -1.408000    
 H   -1.646100      -2.172600      0.9652000    
 H    7.438800     -0.9170000      0.4293000    
 H    7.431000      0.8443000      0.2123000    
 H    8.021900     -0.2071000      -1.085900    
 H   -4.085700       1.757300     -0.8359000    
 H   -3.919300      -2.448500      6.7199998E-02
 H   -6.266300     -0.3435000     -0.2069000    
 H   -5.708600      0.1680000      -1.818000    
 H   -5.676600      -1.538400      -1.385000    
 H   -2.309400       2.928800     -0.3227000    


%chk=000046160-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046160

0 1
O -1.485213 2.155236 0.013602
C 2.326562 -0.035981 0.691937
C 3.426055 -0.155058 -0.387451
C 0.897724 -0.163005 0.119446
C 4.857901 -0.011975 0.176498
C -0.198532 -0.067229 1.217325
C 5.957209 -0.137947 -0.902917
C -1.605309 -0.165443 0.655897
C -2.229601 0.953934 0.041744
C 7.384328 0.007425 -0.331286
C -2.345154 -1.369985 0.683187
C -3.525995 0.871992 -0.513054
C -4.254214 -0.343824 -0.475993
C -3.642586 -1.469194 0.128346
C -5.658518 -0.421541 -1.051499
H 2.486224 -0.817040 1.465477
H 2.425821 0.940406 1.210909
H 3.330587 -1.134872 -0.900868
H 3.259866 0.619665 -1.165100
H 0.724187 0.636638 -0.626467
H 0.793225 -1.128842 -0.415500
H 4.956025 0.970408 0.684541
H 5.023814 -0.782896 0.958321
H -0.073062 0.896513 1.746624
H -0.040208 -0.875863 1.957721
H 5.790243 0.632292 -1.683679
H 5.858313 -1.119643 -1.409901
H -1.889199 -2.251086 1.151486
H 7.589268 -0.773235 0.425702
H 7.515662 0.990760 0.158987
H 8.150775 -0.080368 -1.123462
H -3.978390 1.759127 -0.979910
H -4.182641 -2.422207 0.168298
H -6.402038 0.012626 -0.355006
H -5.739404 0.133304 -2.003965
H -5.955589 -1.467394 -1.241700
H -2.015035 2.880003 -0.401692


