%chk=000078031.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078031

1 1
 S   0.2579000       1.658700     -5.9000002E-03
 S    2.773000      7.9400003E-02 -1.0200000E-02
 O    3.270600       1.632100      0.1526000    
 O    3.215500     -0.6272000       1.188300    
 O    3.191200     -0.3842000      -1.328600    
 N   0.1729000     -0.8479000     -1.8000000E-03
 C   -1.148000     -0.4604000      3.0000001E-04
 C    1.041700      0.1394000     -5.2999998E-03
 C   -1.303400      0.9202000     -1.5000000E-03
 C   0.5909000      -2.231100     -1.9000000E-03
 C   -2.262800      -1.310800      4.1999999E-03
 C   -2.576700       1.506500      1.9999999E-04
 C   -3.534900     -0.7303000      5.7999999E-03
 C   -3.688000      0.6558000      3.8999999E-03
 H   2.7500000E-02  -2.790000     -0.7561000    
 H    1.647500      -2.361700     -0.2417000    
 H   0.4014000      -2.662500      0.9862000    
 H   -2.168900      -2.392000      1.0500000E-02
 H   -2.704300       2.584200     -1.2000001E-03
 H   -4.414900      -1.368200      9.8999999E-03
 H   -4.687100       1.084300      5.5999998E-03
 H    2.987900       2.080400      0.9842000    


%chk=000078031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078031

1 1
S 0.186285 1.811785 0.135182
S 2.877606 0.032700 0.079875
O 3.045782 1.840255 0.286868
O 3.323961 -0.782538 1.393443
O 3.302178 -0.460013 -1.390473
N 0.151044 -0.827365 0.063273
C -1.228354 -0.471946 0.030592
C 0.974690 0.238948 0.110970
C -1.415316 0.940437 0.068109
C 0.590810 -2.254059 0.025863
C -2.334113 -1.350835 -0.034262
C -2.698561 1.516456 0.051859
C -3.617062 -0.775419 -0.053182
C -3.799547 0.636205 -0.008818
H 0.472269 -2.645164 -0.997431
H 1.639719 -2.343261 0.343036
H -0.028953 -2.828831 0.730532
H -2.209472 -2.436067 -0.075384
H -2.846501 2.599313 0.082876
H -4.493887 -1.427274 -0.104524
H -4.812786 1.048091 -0.024449
H 4.009207 2.113283 0.283543


