%chk=000039928.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039928

0 1
 O    1.838900       1.081100     -0.5873000    
 O    3.099400      0.5253000      -2.444900    
 O   -3.285700      0.3817000       1.188900    
 C    4.721400     -0.9687000     -0.2896000    
 C    3.797600     -0.5850000      0.8153000    
 C    4.055100      0.3759000     -0.2954000    
 C    4.289800      -1.951100      -1.327200    
 C    6.171900      -1.058000      4.7499999E-02
 C    2.459900      -1.201500      0.8983000    
 C    2.958900      0.6635000      -1.238200    
 C    1.529500      -1.025400       1.856100    
 C   0.2047000      -1.733500       1.793200    
 C    1.716500     -0.1303000       3.048200    
 C   0.7191000       1.385000      -1.425400    
 C  -0.4291000       1.827800     -0.5670000    
 C   -1.331400      0.8860000     -8.5400000E-02
 C  -0.5798000       3.175500     -0.2606000    
 C   -2.398600       1.297600      0.7132000    
 C   -1.646700       3.587000      0.5378000    
 C   -2.556100       2.648200       1.024800    
 C   -3.755500     -0.5777000      0.3077000    
 C   -4.154200     -0.1913000     -0.9591000    
 C   -3.814300      -1.897300      0.7176000    
 C   -4.628000      -1.157600      -1.846500    
 C   -4.288100      -2.863600     -0.1700000    
 C   -4.695000      -2.493700      -1.451900    
 H    4.261500     -0.3780000       1.774500    
 H    4.679800       1.234800     -6.9300003E-02
 H    4.919300      -1.851900      -2.219500    
 H    3.255600      -1.869200      -1.671000    
 H    4.421300      -2.972400     -0.9510000    
 H    6.786100     -0.8983000     -0.8454000    
 H    6.412500      -2.046100      0.4544000    
 H    6.474600     -0.3111000      0.7900000    
 H    2.184400      -1.903400      0.1161000    
 H   3.4499999E-02  -2.220200      0.8274000    
 H  -0.6166000      -1.032400       1.963700    
 H   0.1566000      -2.502300       2.571500    
 H    2.654100      0.4304000       3.030300    
 H    1.697400     -0.7221000       3.969200    
 H   0.9060000      0.6053000       3.094700    
 H   0.4392000      0.4964000      -2.005100    
 H   0.9911000       2.177600      -2.133700    
 H   -1.185300     -0.1625000     -0.3299000    
 H   0.1240000       3.914800     -0.6327000    
 H   -1.769200       4.638400      0.7810000    
 H   -3.385300       2.974800       1.646400    
 H   -4.134300      0.8454000      -1.282200    
 H   -3.496600      -2.186600       1.714800    
 H   -4.949900     -0.8690000      -2.842800    
 H   -4.340000      -3.904100      0.1372000    
 H   -5.065000      -3.245900      -2.142400    


%chk=000039928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039928

0 1
O 1.899364 2.039108 -0.552284
O 2.062993 0.169427 -1.955815
O -3.058795 1.697983 1.146506
C 4.283062 -0.820241 0.115428
C 2.955409 -1.328127 0.695331
C 3.112529 0.195483 0.274111
C 4.741316 -1.257435 -1.273987
C 5.432999 -0.627139 1.106192
C 2.042735 -2.247687 -0.029995
C 2.341732 0.733521 -0.866011
C 1.141570 -3.105646 0.536729
C 0.274357 -3.995724 -0.338207
C 0.890671 -3.255815 2.026814
C 1.047891 2.725100 -1.566328
C -0.275904 3.122930 -0.946185
C -1.037455 2.172333 -0.223149
C -0.766861 4.441926 -1.103534
C -2.281048 2.552731 0.325080
C -2.015093 4.806712 -0.548241
C -2.780771 3.865484 0.169305
C -3.127180 0.300427 0.919706
C -3.085583 -0.278013 -0.370725
C -3.351055 -0.493038 2.066921
C -3.262694 -1.673551 -0.500554
C -3.530861 -1.885420 1.920436
C -3.484973 -2.483109 0.638194
H 2.952399 -1.435352 1.786458
H 3.195963 0.904924 1.102099
H 5.539284 -0.583174 -1.637652
H 3.926250 -1.239315 -2.013601
H 5.155422 -2.282052 -1.228214
H 6.133466 0.151297 0.749358
H 6.000805 -1.569781 1.222262
H 5.069264 -0.325361 2.105795
H 2.097339 -2.216110 -1.125040
H 0.486473 -3.848041 -1.411179
H -0.799847 -3.782776 -0.166385
H 0.430781 -5.067098 -0.099088
H 1.528561 -2.607975 2.649617
H 1.054424 -4.304139 2.347324
H -0.165543 -3.013961 2.260894
H 0.917503 2.031156 -2.418666
H 1.612655 3.612591 -1.898376
H -0.650088 1.159977 -0.070040
H -0.173435 5.183070 -1.651421
H -2.390152 5.828623 -0.669360
H -3.744351 4.124747 0.617290
H -2.929482 0.346907 -1.255223
H -3.386776 -0.008103 3.047029
H -3.233644 -2.124821 -1.498584
H -3.709173 -2.502129 2.808348
H -3.630456 -3.563022 0.526916


