%chk=000064124.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064124

0 1
 S    3.495700      0.7440000      5.0000002E-04
 O   -1.929300       2.497800     -8.9999998E-04
 O   -3.365100      -1.968400       0.000000    
 N   0.8452000       1.376400     -1.9999999E-04
 N   -1.075800      -1.552700     -1.9999999E-04
 N   -2.671800      0.2691000      3.9999999E-04
 N    1.271200     -0.8119000     -6.0000003E-04
 C  -0.3685000      0.7509000     -6.9999998E-04
 C  -7.9200000E-02 -0.5864000     -6.9999998E-04
 C   -1.688200       1.293700      9.9999997E-05
 C    1.801300      0.3937000     -9.9999997E-05
 C   -2.435800      -1.153200     -3.9999999E-04
 C    1.063200       2.806500      3.0000001E-04
 C  -0.7175000      -2.965600      1.9999999E-04
 C   -4.065700      0.7007000      1.6000000E-03
 C    4.202300     -0.9284000      9.9999997E-05
 C    5.718000     -0.8664000      6.0000003E-04
 H    2.106800       3.058300     -0.1866000    
 H   0.4562000       3.248700     -0.7944000    
 H   0.7577000       3.194800      0.9754000    
 H   -1.604100      -3.604700      7.9999998E-04
 H  -0.1255000      -3.182000      0.8949000    
 H  -0.1262000      -3.182700     -0.8947000    
 H   -4.559200      0.2852000      0.8860000    
 H   -4.557900      0.2925000     -0.8870000    
 H   -4.173700       1.787500      6.0000001E-03
 H    3.857900      -1.469400      0.8876000    
 H    3.858400      -1.468800     -0.8878000    
 H    6.099600     -0.3527000     -0.8884000    
 H    6.099100     -0.3533000      0.8901000    
 H    6.132600      -1.879900      3.9999999E-04


%chk=000064124-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064124

0 1
S 3.581022 0.808420 0.015852
O -2.065769 2.536702 -0.031233
O -3.387494 -1.993147 -0.024822
N 0.866361 1.440028 -0.004096
N -1.082951 -1.547012 -0.007591
N -2.699062 0.248360 -0.026699
N 1.280427 -0.816375 0.006161
C -0.384828 0.788699 -0.008725
C -0.086914 -0.582920 -0.003033
C -1.723208 1.310131 -0.022535
C 1.822546 0.435569 0.005130
C -2.443162 -1.151714 -0.020381
C 1.101437 2.893419 -0.001248
C -0.739618 -2.981647 0.000033
C -4.130332 0.630054 -0.039841
C 4.253803 -0.977025 0.032905
C 5.785001 -0.917551 0.046042
H 1.680048 3.188606 -0.894043
H 0.121943 3.395520 -0.013779
H 1.658614 3.189081 0.904952
H -1.682378 -3.547527 -0.005368
H -0.153267 -3.225633 0.901790
H -0.139159 -3.231860 -0.890658
H -4.639830 0.214518 0.844665
H -4.620820 0.228129 -0.941420
H -4.175032 1.728813 -0.032898
H 3.836092 -1.463563 0.927152
H 3.852021 -1.474811 -0.862430
H 6.181990 -0.408068 -0.849594
H 6.166292 -0.397125 0.942201
H 6.187925 -1.946770 0.055814


