%chk=000157203.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157203

0 1
 S  -0.9332000      -1.319600     -1.9999999E-04
 O    2.282400      0.7019000      4.4999998E-03
 O   -1.210500      -2.006000      -1.252000    
 O   -1.215300      -2.008200       1.249300    
 O   -1.925800       2.460100     -1.5000000E-03
 N   -1.879600      0.1256000     -1.1000000E-03
 N   0.1293000       1.445400      1.8000000E-03
 N   0.6409000     -0.8973000      3.0000000E-03
 C   -1.263700       1.423800     -3.9999999E-04
 C   0.9750000      0.3498000      3.5999999E-03
 C   -3.360800      2.4200000E-02 -2.4000001E-03
 C    3.167900     -0.4045000      4.8000002E-03
 C    4.593400      0.1047000     -9.2000002E-03
 H   0.5694000       2.361300      2.2000000E-03
 H   -3.681700      -1.021400     -3.1000001E-03
 H   -3.764700      0.5066000     -0.8970000    
 H   -3.766300      0.5059000      0.8919000    
 H    3.021300      -1.010800      0.9070000    
 H    3.009800      -1.022400     -0.8876000    
 H    5.305700     -0.7252000     -8.9999996E-03
 H    4.773100      0.7242000     -0.8941000    
 H    4.786300      0.7357000      0.8648000    


%chk=000157203-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157203

0 1
S -1.074678 -1.513438 0.000501
O 2.293715 0.642043 -0.002760
O -1.453508 -2.242977 -1.383303
O -1.453584 -2.242773 1.384366
O -1.864749 2.528247 -0.005732
N -1.948379 0.203383 0.000780
N 0.143184 1.359096 -0.003737
N 0.690940 -1.045009 0.000187
C -1.281938 1.409237 -0.000423
C 0.976655 0.254203 -0.002725
C -3.422323 0.151142 0.001696
C 3.330814 -0.453423 -0.000582
C 4.683108 0.245007 -0.003189
H 0.596785 2.277779 -0.006540
H -3.742371 -0.903871 0.003153
H -3.822885 0.647332 -0.897953
H -3.821558 0.649298 0.900850
H 3.163455 -1.071566 0.898169
H 3.162276 -1.076096 -0.895980
H 5.484224 -0.515869 -0.001653
H 4.806324 0.873682 -0.901263
H 4.807393 0.878372 0.891438


