%chk=000130001.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130001

0 1
 S    2.583100      2.5800001E-02   1.534700    
 O   -3.734800      1.7700000E-02  0.4009000    
 O    4.456200     -4.7699999E-02  -1.822700    
 N    4.982800     -1.3000000E-03  0.4582000    
 C   -2.428600       2.518400      5.6400001E-02
 C   -2.463800      -2.504000      7.0600003E-02
 C   -1.732600       1.209700     -0.1254000    
 C   -1.749900      -1.206300     -0.1198000    
 C   -2.415600      7.0000002E-03  5.5100001E-02
 C  -0.3838000       1.199200     -0.4811000    
 C  -0.4011000      -1.216600     -0.4754000    
 C   -1.459500       3.712800     -0.2007000    
 C   -2.984000       2.665000       1.506300    
 C   -3.652200       2.762500     -0.8864000    
 C   -1.489600      -3.615800      0.5674000    
 C   -3.102000      -2.997700      -1.264100    
 C   -3.633400      -2.478700       1.108600    
 C   0.2627000     -1.3700000E-02 -0.6510000    
 C    1.688200     -2.4700001E-02  -1.027300    
 C    2.720400     -9.3000000E-03 -0.1811000    
 C    4.133100     -2.2000000E-02 -0.6423000    
 C    4.375400      2.7600000E-02   1.772900    
 C    6.428900     -7.7999998E-03  0.3462000    
 H   0.2054000       2.094500     -0.6398000    
 H   0.1487000      -2.135200     -0.6483000    
 H   -1.085100       3.730600      -1.231300    
 H  -0.6164000       3.721700      0.5006000    
 H   -1.981500       4.666900     -5.0400000E-02
 H   -2.194300       2.479600       2.244300    
 H   -3.361500       3.680200       1.678800    
 H   -3.809700       1.983100       1.726700    
 H   -4.471100       2.060500     -0.7058000    
 H   -3.353300       2.652800      -1.935400    
 H   -4.060500       3.771700     -0.7569000    
 H   -2.035700      -4.529200      0.8341000    
 H  -0.7725000      -3.923900     -0.2010000    
 H  -0.9367000      -3.295800       1.458500    
 H   -2.337400      -3.129400      -2.038700    
 H   -3.611800      -3.958700      -1.130300    
 H   -3.833000      -2.276800      -1.647300    
 H   -4.566400      -2.068400      0.7115000    
 H   -3.351100      -1.943800       2.022800    
 H   -3.899700      -3.499000       1.414400    
 H    1.858600     -4.8599999E-02  -2.101500    
 H   -4.222700     -0.3310000     -0.3660000    
 H    4.688300     -0.8580000       2.333300    
 H    4.691600      0.9349000       2.295400    
 H    6.823200      0.8950000      0.8205000    
 H    6.737500     -3.0200001E-02 -0.7021000    
 H    6.818000     -0.8928000      0.8572000    


%chk=000130001-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130001

0 1
S 2.865038 1.930736 0.376400
O -3.881226 0.103584 0.056112
O 4.513153 -1.677913 0.024973
N 5.195100 0.556593 0.278317
C -2.263050 2.458161 0.358865
C -2.858286 -2.696574 -0.286241
C -1.661793 1.036646 0.198237
C -1.950688 -1.444420 -0.108848
C -2.487362 -0.123552 0.045695
C -0.266077 0.834742 0.200435
C -0.546514 -1.565670 -0.094917
C -1.159447 3.542984 0.494560
C -3.141994 2.521549 1.646163
C -3.120908 2.822377 -0.892517
C -2.022414 -3.997095 -0.445503
C -3.721026 -2.576496 -1.585984
C -3.760364 -2.915555 0.973178
C 0.323942 -0.452173 0.059015
C 1.759976 -0.715917 0.061798
C 2.843970 0.113188 0.178930
C 4.229954 -0.447538 0.150362
C 4.771550 1.942492 0.416553
C 6.624502 0.235878 0.280360
H 0.379644 1.706142 0.318389
H -0.090658 -2.553135 -0.206789
H -0.508188 3.588394 -0.398040
H -0.523933 3.381884 1.385133
H -1.643586 4.530513 0.604964
H -2.534545 2.298179 2.543018
H -3.561609 3.539107 1.760529
H -3.974543 1.802989 1.597453
H -3.957523 2.119389 -1.024120
H -2.499761 2.807965 -1.807568
H -3.534475 3.842156 -0.775121
H -2.707954 -4.855230 -0.570610
H -1.367366 -3.960144 -1.334414
H -1.397510 -4.195897 0.443591
H -3.062067 -2.488427 -2.468257
H -4.344243 -3.481650 -1.707920
H -4.400337 -1.703855 -1.612919
H -4.440085 -2.075173 1.209535
H -3.128938 -3.068053 1.866772
H -4.387214 -3.815768 0.834070
H 2.056010 -1.770964 -0.047976
H -4.370084 -0.747069 -0.050053
H 5.093385 2.377479 1.380136
H 5.129668 2.568534 -0.420680
H 7.146957 0.729021 -0.561730
H 6.711198 -0.857941 0.170679
H 7.102522 0.546327 1.229289


