%chk=000178954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178954

0 1
 S   -4.426400      -1.370900     -0.4308000    
 O    4.931300     -0.5473000      2.9100001E-02
 N   -4.394200       1.695200     -3.3000000E-02
 C   0.6091000       1.934300      0.1867000    
 C  -0.7504000       1.281000      5.0700001E-02
 C  -0.6134000     -0.1144000     -0.1244000    
 C    1.537100      0.7434000      6.7900002E-02
 C   0.7953000     -0.4455000     -0.1139000    
 C   -1.994100       1.887100      8.2199998E-02
 C   -1.731500     -0.9183000     -0.2704000    
 C    2.919900      0.7323000      0.1189000    
 C    1.440400      -1.663800     -0.2467000    
 C   -3.121100       1.076600     -6.5200001E-02
 C   -2.991200     -0.3121000     -0.2398000    
 C    3.569900     -0.4959000     -1.5000000E-02
 C    2.837500      -1.682000     -0.1959000    
 C   -4.238100      -2.487200      0.9851000    
 C    5.619900      0.6875000      0.2146000    
 H   0.7137000       2.410900       1.165600    
 H   0.7816000       2.642900     -0.6285000    
 H   -2.080700       2.960500      0.2178000    
 H   -1.617900      -1.988600     -0.4141000    
 H    3.422500       1.681100      0.2604000    
 H   0.8891000      -2.587500     -0.3869000    
 H    3.361000      -2.629600     -0.2985000    
 H   -4.470500       2.695700      9.2100002E-02
 H   -5.227200       1.131300     -0.1374000    
 H   -5.122300      -3.126200       1.055900    
 H   -4.147000      -1.915100       1.912500    
 H   -3.360100      -3.126700      0.8643000    
 H    5.379700       1.141400       1.182000    
 H    5.447400       1.374600     -0.6207000    
 H    6.691300      0.4616000      0.2255000    


%chk=000178954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178954

0 1
S -4.385479 -1.659595 -0.627283
O 5.150289 -0.460576 -0.086163
N -4.468031 1.332978 0.023427
C 0.589582 1.865216 0.318163
C -0.748513 1.158427 0.119248
C -0.525174 -0.220656 -0.185493
C 1.604223 0.746658 0.092886
C 0.925595 -0.472182 -0.202821
C -2.042270 1.686683 0.191221
C -1.628851 -1.071419 -0.406706
C 3.008355 0.810595 0.145298
C 1.672947 -1.648467 -0.451168
C -3.168443 0.835787 -0.037646
C -2.938215 -0.551260 -0.325742
C 3.744825 -0.378009 -0.105669
C 3.079315 -1.597190 -0.401772
C -4.834112 -2.069827 1.172907
C 5.894033 0.762745 0.212370
H 0.676416 2.303626 1.331947
H 0.726180 2.697079 -0.400719
H -2.207729 2.748100 0.414760
H -1.494531 -2.132748 -0.640808
H 3.512127 1.755293 0.373264
H 1.173143 -2.595736 -0.682061
H 3.689911 -2.485861 -0.588575
H -4.638322 2.323840 0.167260
H -5.229241 0.727929 -0.288175
H -5.753530 -2.675744 1.140074
H -5.010339 -1.137981 1.731855
H -4.015048 -2.643363 1.631189
H 5.649487 1.149161 1.221653
H 5.697477 1.550357 -0.541815
H 6.954521 0.472439 0.175196


