%chk=000157272.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157272

1 1
 S    1.835500      -1.541800      0.4530000    
 O   -4.495300       1.785300       1.638400    
 O   -4.189500       2.275700     -0.5615000    
 O    4.866000      -2.020400      2.1500001E-02
 O    6.828000     -4.1999999E-02  -1.220300    
 O    5.401100       1.706100     -0.9574000    
 N   -5.163000     -0.7720000      7.8000002E-02
 N  -0.7253000      -1.102300     -0.2467000    
 N   0.5711000      0.6835000     -0.4968000    
 N    5.443300       1.174400       1.787200    
 C   -3.887400     -9.2000002E-03  0.2309000    
 C   -2.971900     -0.3186000     -0.9798000    
 C   -6.067900     -0.5510000       1.293500    
 C   -4.877900      -2.271200     -4.8700001E-02
 C   -5.913800     -0.3133000      -1.175600    
 C   -4.195100       1.465000      0.3536000    
 C   -1.538400     -0.1136000     -0.7246000    
 C  -0.7160000      0.9787000     -0.8706000    
 C   0.4989000     -0.5532000     -0.1403000    
 C    4.507300     -0.9162000      0.8555000    
 C    3.179300     -0.3134000      0.3803000    
 C    5.684900      7.7299997E-02  0.8492000    
 C    5.925800      0.6922000     -0.5187000    
 H   -3.400400     -0.3505000       1.154800    
 H   -3.245100      0.3169000      -1.833000    
 H   -3.057700      -1.340400      -1.352800    
 H   -6.467800      0.4657000       1.278100    
 H   -5.490700     -0.7517000       2.200700    
 H   -6.910000      -1.247800       1.226100    
 H   -5.802300      -2.815800      0.1709000    
 H   -4.108400      -2.547800      0.6780000    
 H   -4.587200      -2.522100      -1.071400    
 H   -5.303300     -0.4855000      -2.064700    
 H   -6.191900      0.7388000      -1.079500    
 H   -6.826200     -0.9151000      -1.249500    
 H  -0.9940000      -2.050800     -1.8999999E-02
 H  -0.9834000       1.963800      -1.225400    
 H    4.390300      -1.312700       1.872100    
 H    3.260100      1.3300000E-02 -0.6615000    
 H    2.895500      0.5421000      0.9999000    
 H   -4.704200       2.738500       1.738200    
 H    6.603600     -0.4365000       1.157600    
 H    6.254200       1.791800       1.810200    
 H    4.659900       1.745500       1.474200    
 H    4.880400      -1.711000     -0.9001000    
 H    6.998100      0.3392000      -2.108000    


%chk=000157272-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157272

1 1
S 1.992414 -1.625977 0.103356
O -2.895970 0.691483 2.009650
O -3.958826 1.958689 0.363194
O 4.947366 -1.817657 0.967717
O 6.583270 -0.546457 -0.880210
O 6.331214 1.750432 -1.127635
N -5.391837 -0.761553 0.045968
N -0.695052 -1.290551 -0.568276
N 0.470088 0.645548 -0.660240
N 4.943170 1.960804 1.265262
C -3.842032 -0.505720 0.160309
C -3.080159 -0.538233 -1.198913
C -6.050477 -0.472336 1.400409
C -5.623582 -2.233368 -0.297443
C -6.046198 0.118708 -1.025140
C -3.585728 0.859862 0.827637
C -1.614965 -0.291277 -0.960824
C -0.863387 0.886950 -1.009944
C 0.547353 -0.677110 -0.402635
C 4.376366 -0.471934 0.979260
C 3.320197 -0.276773 -0.114318
C 5.486345 0.650034 0.928679
C 6.162601 0.724221 -0.441644
H -3.470859 -1.296332 0.834469
H -3.455248 0.269602 -1.849601
H -3.246109 -1.501564 -1.717337
H -6.033621 0.611256 1.586285
H -5.497856 -1.001084 2.191965
H -7.092689 -0.824583 1.366921
H -6.706542 -2.405008 -0.396679
H -5.219517 -2.862352 0.510633
H -5.128476 -2.473829 -1.248563
H -5.709999 -0.207812 -2.019341
H -5.757345 1.165298 -0.850025
H -7.137640 -0.003140 -0.946626
H -0.871051 -2.292365 -0.490472
H -1.198294 1.887007 -1.280349
H 3.897073 -0.380202 1.968378
H 3.733010 -0.398680 -1.129474
H 2.809499 0.694935 -0.021970
H -2.617367 1.563663 2.405317
H 6.265628 0.297393 1.641766
H 5.019539 2.239445 2.242604
H 5.151046 2.702675 0.591872
H 5.581948 -1.880946 0.202724
H 7.041901 -0.473260 -1.760717


