%chk=000173760.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173760

0 1
 S    1.180000      -2.362000      3.0000001E-04
 O    2.712500       1.119000     -1.9999999E-04
 N   -1.374400      -1.306800     -9.9999997E-05
 N    2.420000      -1.190600     -1.9999999E-04
 C   0.5288000      0.1792000      9.9999997E-05
 C  -0.2721000       1.305000      9.9999997E-05
 C  -5.0799999E-02  -1.079200      1.9999999E-04
 C   -1.651300       1.113600      1.9999999E-04
 C   -2.145100     -0.1914000     -9.9999997E-05
 C    1.998400      0.1295000     -1.9999999E-04
 C   0.2768000       2.688900      9.9999997E-05
 C   -3.622700     -0.4052000     -3.0000001E-04
 H   -2.333800       1.958500      3.0000001E-04
 H   0.8839000       2.862100      0.8945000    
 H   0.8838000       2.862100     -0.8945000    
 H  -0.5195000       3.441500      9.9999997E-05
 H    3.397900      -1.459700     -3.0000001E-04
 H   -3.865700      -1.472800     -7.9999998E-04
 H   -4.072200      4.2700000E-02  0.8916000    
 H   -4.072000      4.3499999E-02 -0.8919000    


%chk=000173760-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173760

0 1
S 1.136664 -2.446961 -0.000182
O 2.884556 1.107305 0.000109
N -1.388536 -1.311423 -0.000208
N 2.436749 -1.193969 -0.000049
C 0.563959 0.201886 -0.000072
C -0.274310 1.355041 -0.000025
C -0.064123 -1.066400 -0.000159
C -1.668229 1.114599 -0.000087
C -2.201597 -0.207522 -0.000179
C 2.046634 0.154257 -0.000015
C 0.300290 2.753021 0.000066
C -3.693724 -0.455494 -0.000142
H -2.362588 1.961593 -0.000055
H 0.951874 2.911464 0.877907
H 0.951855 2.911587 -0.877765
H -0.500774 3.510767 0.000128
H 3.419658 -1.472139 0.000000
H -3.890552 -1.538181 -0.000495
H -4.172579 -0.006085 0.889803
H -4.172728 -0.005448 -0.889679


