%chk=000017578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017578

0 1
 O   -3.217600      3.2499999E-02 -6.9999998E-04
 C   -1.865400       2.533300      1.1000000E-03
 C   -1.904600      -2.489300     -3.1000001E-03
 C   -1.125100       1.185500      1.4000000E-03
 C   -1.165600      -1.191600     -1.2000001E-03
 C   -1.853600      2.1900000E-02  9.9999997E-05
 C   0.2484000       1.213400      1.1000000E-03
 C   0.2293000      -1.202500     -1.4000000E-03
 C  -0.8410000       3.688600      3.9999999E-04
 C   -2.750500       2.640300       1.261800    
 C   -2.787000       2.740000      -1.222200    
 C   -1.089300      -3.603400      0.7222000    
 C   -2.181700      -2.978400      -1.457800    
 C   -3.300100      -2.466000      0.7028000    
 C   0.9362000      9.9999997E-05 -1.9999999E-04
 C    2.382900     -1.0800000E-02 -3.0000001E-04
 C    3.080300     -1.4100000E-02  -1.208500    
 C    3.080800     -1.7200001E-02   1.207500    
 C    4.475200     -2.4300000E-02  -1.208800    
 C    4.475700     -2.7300000E-02   1.207200    
 C    5.172700     -3.0700000E-02 -1.1000000E-03
 H   0.8578000       2.107500      3.9999999E-04
 H   0.8010000      -2.124200     -2.9800000E-02
 H   -1.366300       4.653200      1.1800000E-02
 H  -0.2085000       3.695100      0.8965000    
 H  -0.2181000       3.703800     -0.9023000    
 H   -2.171600       2.427400       2.168600    
 H   -3.151900       3.656000       1.365300    
 H   -3.614400       1.970400       1.256400    
 H   -3.209400       3.751900      -1.231600    
 H   -2.227600       2.605100      -2.155400    
 H   -3.632800       2.047800      -1.248300    
 H   -1.686000      -4.516600      0.8394000    
 H  -0.2010000      -3.911400      0.1601000    
 H  -0.7804000      -3.286100       1.725200    
 H   -1.245000      -3.108300      -2.012500    
 H   -2.708700      -3.939300      -1.461300    
 H   -2.790900      -2.255700      -2.012400    
 H   -3.635400      -3.486900      0.9283000    
 H   -3.260100      -1.933400       1.659900    
 H   -4.101500      -2.054500      8.2199998E-02
 H   -3.494500     -0.3191000     -0.8654000    
 H    2.551900     -8.9999996E-03  -2.159100    
 H    2.552900     -1.4600000E-02   2.158300    
 H    5.018100     -2.7000001E-02  -2.149500    
 H    5.019100     -3.2400001E-02   2.147400    
 H    6.258800     -3.8500000E-02 -1.3000000E-03


%chk=000017578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017578

0 1
O -3.273436 0.114766 -0.170551
C -1.904607 2.642455 -0.143366
C -1.965975 -2.582014 -0.033469
C -1.162709 1.281040 -0.085661
C -1.192155 -1.231137 -0.030519
C -1.859962 0.033278 -0.094602
C 0.249670 1.221723 -0.016343
C 0.222733 -1.208756 0.037679
C -0.916728 3.841098 -0.117825
C -2.847772 2.789373 1.090458
C -2.732203 2.748828 -1.461236
C -1.003466 -3.798903 0.055528
C -2.766436 -2.762522 -1.365787
C -2.909116 -2.686749 1.211308
C 0.955840 -0.001974 0.044041
C 2.456350 -0.018445 0.115353
C 3.239004 -0.051961 -1.068986
C 3.122811 0.000047 1.369076
C 4.651147 -0.067356 -1.002808
C 4.534819 -0.015434 1.437798
C 5.304027 -0.049410 0.251549
H 0.826074 2.150016 -0.007879
H 0.778021 -2.148381 0.088354
H -1.495868 4.781877 -0.157475
H -0.311156 3.860597 0.807296
H -0.232317 3.834100 -0.986422
H -2.266931 2.751852 2.031056
H -3.368819 3.764907 1.047491
H -3.603210 1.988977 1.111233
H -3.251163 3.725726 -1.497625
H -2.069488 2.679603 -2.344109
H -3.485547 1.948685 -1.523848
H -1.596084 -4.732142 0.052780
H -0.311640 -3.838969 -0.804840
H -0.405959 -3.783403 0.984768
H -2.070414 -2.769064 -2.223621
H -3.308864 -3.726265 -1.352058
H -3.508966 -1.968753 -1.570021
H -3.443106 -3.655084 1.199269
H -2.312954 -2.631527 2.139928
H -3.673219 -1.889860 1.281546
H -3.668502 -0.788966 -0.164612
H 2.734372 -0.064531 -2.041964
H 2.528129 0.027664 2.289499
H 5.239634 -0.092644 -1.927239
H 5.032965 -0.000251 2.414081
H 6.398676 -0.060911 0.303975


