%chk=000169814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169814

0 1
 S    4.001900      0.5230000      0.3237000    
 O    5.272000      0.4504000     -0.6971000    
 O    4.248800     -0.3708000       1.440300    
 O    3.648900       1.915900      0.5298000    
 N  -0.7697000      -1.383200     -0.1723000    
 C   0.4449000      -1.123500     -0.9079000    
 C    1.492700     -0.4648000     -1.6200000E-02
 C    2.806100     -0.2140000     -0.7455000    
 C  -0.9925000      -2.729000      0.3588000    
 C   -1.731800     -0.3831000      2.6900001E-02
 C   -1.525800      0.9058000     -0.4769000    
 C   -1.731800      -3.576400     -0.6587000    
 C   -2.906700     -0.6650000      0.7324000    
 C   -2.483000       1.900700     -0.2774000    
 C   -3.864000      0.3297000      0.9317000    
 C   -3.652100       1.612600      0.4268000    
 C   -2.257800       3.271900     -0.8183000    
 H   0.2647000     -0.5443000      -1.821300    
 H   0.8596000      -2.072400      -1.274700    
 H    1.675800      -1.107200      0.8552000    
 H    1.121000      0.4820000      0.3917000    
 H    3.224800      -1.160200      -1.103500    
 H    2.661100      0.4570000      -1.597800    
 H  -1.7800000E-02  -3.201800      0.5400000    
 H   -1.473500      -2.743000       1.341800    
 H  -0.6347000       1.180100      -1.032100    
 H   -2.727400      -3.175700     -0.8734000    
 H   -1.184000      -3.628800      -1.605600    
 H   -1.853500      -4.597400     -0.2833000    
 H   -3.145700      -1.642500       1.135700    
 H   -4.776900      0.1051000       1.475800    
 H   -4.407600       2.377200      0.5869000    
 H   -1.215900       3.579100     -0.6780000    
 H   -2.494400       3.298200      -1.886700    
 H   -2.882400       4.013000     -0.3080000    
 H    5.639400     -0.4513000     -0.8541000    


%chk=000169814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169814

0 1
S 4.203946 0.334151 0.313688
O 5.483383 0.242688 -1.056344
O 4.536583 -0.759989 1.459681
O 3.962140 1.877645 0.738040
N -0.846280 -1.393055 -0.190233
C 0.390757 -1.137386 -0.927747
C 1.521130 -0.544790 -0.018428
C 2.786434 -0.304102 -0.833020
C -1.008502 -2.740725 0.392215
C -1.819081 -0.387426 -0.009533
C -1.587637 0.957832 -0.434423
C -1.791887 -3.719143 -0.514770
C -3.074423 -0.680868 0.608446
C -2.558978 1.972476 -0.269044
C -4.034649 0.333924 0.784414
C -3.793090 1.656654 0.352518
C -2.280200 3.382053 -0.766504
H 0.196501 -0.456349 -1.777419
H 0.746398 -2.091128 -1.362759
H 1.725813 -1.257401 0.802438
H 1.162788 0.396161 0.436114
H 3.229830 -1.214475 -1.267448
H 2.709976 0.497281 -1.584955
H 0.000461 -3.152057 0.587377
H -1.498333 -2.657893 1.380089
H -0.632058 1.238109 -0.890874
H -2.808254 -3.341777 -0.720939
H -1.278835 -3.853328 -1.484416
H -1.878459 -4.710575 -0.032322
H -3.311563 -1.695279 0.940479
H -4.988428 0.083507 1.263584
H -4.549870 2.435663 0.497174
H -1.205758 3.631520 -0.706556
H -2.587569 3.498183 -1.824273
H -2.837018 4.132886 -0.179085
H 6.347431 0.594314 -0.696466


