%chk=000030706.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030706

0 1
 S    1.296000      -2.399000      0.4012000    
 O  -0.2781000       1.162300      -1.761000    
 N   -2.371600      0.2336000     -0.2469000    
 C   -1.079700     -0.4494000     -0.1538000    
 C   -1.131700      -1.809900     -0.8492000    
 C  -3.2499999E-02  0.4339000     -0.8018000    
 C   0.2323000      -2.461100      -1.070300    
 C   -2.317000       1.521100      0.4426000    
 C   -3.430900     -0.6038000      0.3123000    
 C    1.351100      0.4040000     -0.2490000    
 C    1.969600     -0.7355000      0.3016000    
 C   -3.630200       2.267600      0.3286000    
 C   -3.154800     -0.9550000       1.759700    
 C    2.042200       1.628500     -0.2852000    
 C    3.266200     -0.5976000      0.8339000    
 C    3.329400       1.736100      0.2366000    
 C    3.939700      0.6242000      0.8007000    
 H  -0.7905000     -0.5563000      0.8978000    
 H   -1.619300      -1.724800      -1.829900    
 H   -1.727300      -2.520800     -0.2638000    
 H   -2.013200       1.448700       1.493000    
 H   -1.578900       2.183100     -2.2100000E-02
 H   -4.410200     -0.1200000      0.2299000    
 H   -3.574000      -1.516800     -0.2763000    
 H   8.4600002E-02  -3.514500      -1.332700    
 H   0.7532000      -2.004200      -1.919200    
 H   -4.008900       2.272500     -0.6993000    
 H   -4.402500       1.865300      0.9913000    
 H   -3.484800       3.313300      0.6235000    
 H   -2.282200      -1.597300       1.905000    
 H   -3.075700     -8.8699996E-02   2.421000    
 H   -4.006100      -1.534900       2.138500    
 H    1.580500       2.520200     -0.7036000    
 H    3.780600      -1.449400       1.276400    
 H    3.850100       2.688700      0.2085000    
 H    4.941400      0.7030000       1.213100    


%chk=000030706-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030706

0 1
S 1.369155 -2.378171 0.510735
O -0.290052 1.142418 -1.835847
N -2.373324 0.229525 -0.114578
C -1.058137 -0.455545 -0.125183
C -1.120912 -1.845533 -0.821687
C 0.011132 0.398578 -0.860571
C 0.268264 -2.459970 -1.036811
C -2.307451 1.542603 0.585919
C -3.523925 -0.617615 0.291736
C 1.425244 0.393728 -0.326541
C 2.069175 -0.689403 0.342595
C -3.585669 2.387320 0.434245
C -3.517888 -1.149746 1.753330
C 2.147340 1.613099 -0.487556
C 3.369951 -0.516139 0.882299
C 3.431440 1.786107 0.055841
C 4.038840 0.717713 0.761279
H -0.670110 -0.631464 0.910945
H -1.618021 -1.721715 -1.803913
H -1.730259 -2.532809 -0.208303
H -2.063450 1.423174 1.672857
H -1.476388 2.111427 0.134227
H -4.440506 -0.024036 0.128404
H -3.597800 -1.468158 -0.408921
H 0.202408 -3.536360 -1.266623
H 0.831826 -1.961273 -1.843591
H -3.861977 2.466827 -0.631946
H -4.444438 1.970634 0.990776
H -3.404873 3.406213 0.822993
H -2.638765 -1.789336 1.956228
H -3.510937 -0.322724 2.486464
H -4.424706 -1.755424 1.938782
H 1.652111 2.419942 -1.037960
H 3.863354 -1.361802 1.373513
H 3.956719 2.739336 -0.063595
H 5.039430 0.835675 1.191555


