%chk=000044381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044381

0 1
 S   -2.961800      -2.010200      2.4000001E-03
 C    1.159700     -9.0200000E-02 -9.9999997E-05
 C   -1.338300     -1.3300000E-02  3.9999999E-04
 C  -6.6900000E-02  0.6236000     -9.9999997E-05
 C    1.074600      -1.499400     -1.9999999E-04
 C   -1.358700      -1.402500      1.0000000E-03
 C  -0.1695000      -2.152700      5.0000002E-04
 C   -2.676000      0.5500000       0.000000    
 C    2.457000      0.5373000       0.000000    
 C   -3.657700     -0.4423000      1.2000001E-03
 C    3.620200     -0.2754000     -7.9999998E-04
 C    2.242100      -2.267300     -8.9999998E-04
 C  -0.1199000       2.115900     -1.6000000E-03
 C  -0.2470000      -3.654000     -1.4000000E-03
 C    3.496000      -1.665800     -1.5000000E-03
 C   -3.105600       1.903000     -1.6000000E-03
 C    2.663900       1.940000      1.1000000E-03
 C   -5.031300     -0.1269000      1.1000000E-03
 C    4.900400      0.3045000     -5.0000002E-04
 C   -4.466300       2.220900     -1.9000000E-03
 C    3.942500       2.504600      2.0000001E-03
 C   -5.418500       1.213500     -3.0000001E-04
 C    5.061200       1.686400      1.1000000E-03
 H    2.231900      -3.353900     -1.1000000E-03
 H   0.5526000       2.510000      0.7630000    
 H  -3.5300002E-02   2.574400     -0.9877000    
 H  -0.9610000       2.501900      0.5479000    
 H   -1.261900      -4.056800     -1.1000000E-03
 H   0.2381000      -4.058100     -0.8972000    
 H   0.2393000      -4.060400      0.8927000    
 H    4.378500      -2.302900     -2.0999999E-03
 H   -2.495100       2.782000     -0.1494000    
 H    1.954500       2.713300     -0.2187000    
 H   -5.784000     -0.9106000      3.0000001E-04
 H    5.791200     -0.3212000     -3.7000000E-03
 H   -4.779900       3.260700     -3.5100002E-02
 H    4.062500       3.583700     -4.3800000E-02
 H   -6.474900       1.467300     -8.0000004E-03
 H    6.056500       2.119900     -9.6000005E-03


%chk=000044381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044381

0 1
S -3.023917 -2.096694 -0.207635
C 1.138345 -0.052836 0.043806
C -1.328911 0.029351 0.028687
C -0.083332 0.702072 0.183394
C 1.072049 -1.504693 0.023997
C -1.338803 -1.404238 -0.091125
C -0.185894 -2.192831 -0.040395
C -2.694243 0.591918 -0.010344
C 2.472637 0.570602 -0.066430
C -3.704977 -0.417031 -0.122567
C 3.657147 -0.242662 0.094200
C 2.291926 -2.276954 0.136648
C -0.089986 2.146431 0.668288
C -0.261501 -3.709345 -0.051346
C 3.527227 -1.673017 0.232141
C -3.139796 1.945274 -0.016559
C 2.683382 1.941845 -0.424732
C -5.080048 -0.126941 -0.195143
C 4.956115 0.348884 0.035623
C -4.513476 2.252001 -0.091122
C 3.967899 2.501563 -0.506040
C -5.485988 1.224529 -0.169162
C 5.119336 1.711186 -0.240377
H 2.221604 -3.367510 0.171469
H 0.846339 2.392488 1.191357
H -0.227876 2.890751 -0.140863
H -0.914169 2.286485 1.388553
H -1.302236 -4.060814 -0.142009
H 0.306443 -4.139491 -0.896921
H 0.150304 -4.142725 0.879455
H 4.435888 -2.273476 0.357738
H -2.424643 2.767568 0.014399
H 1.833895 2.568535 -0.697921
H -5.819064 -0.930402 -0.277778
H 5.831361 -0.295218 0.182954
H -4.829431 3.300784 -0.093808
H 4.081189 3.552952 -0.792851
H -6.550852 1.474892 -0.223143
H 6.119159 2.155767 -0.288137


