%chk=000161112.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161112

1 1
 S  -0.5738000      -2.960800      0.1210000    
 O   -1.389800      -3.665600      -1.102900    
 O   -1.366700      -1.861100      0.6387000    
 O  -5.3300001E-02  -3.998300      0.9927000    
 N    3.681700      7.2999999E-02  0.1286000    
 C    2.908500       1.257100      0.5706000    
 C    2.829500     -0.8321000     -0.7731000    
 C    2.438700       2.074900     -0.6274000    
 C    4.146300     -0.7583000       1.333300    
 C    4.926500      0.4969000     -0.6647000    
 C    1.675600       3.344200     -0.2354000    
 C    1.651300      -1.405300      2.6000000E-03
 C   0.3720000       3.060600      0.5187000    
 C  -0.6554000       2.284000     -0.3081000    
 C   0.7560000      -2.305200     -0.8383000    
 C   -1.962700       2.095900      0.4675000    
 C   -3.003300       1.353500     -0.3736000    
 C   -4.322300       1.109900      0.3653000    
 C   -5.387300      0.4337000     -0.4988000    
 C   -6.671500      0.2030000      0.2834000    
 H    3.572300       1.865500       1.198700    
 H    2.084700      0.9339000       1.210800    
 H    2.530100     -0.2935000      -1.675100    
 H    3.483200      -1.650600      -1.102300    
 H    1.800400       1.505500      -1.304800    
 H    3.293500       2.417500      -1.219700    
 H    3.316700     -0.8876000       2.032900    
 H    4.533000      -1.718000      0.9783000    
 H    4.941600     -0.1969000       1.834800    
 H    4.628700      0.8569000      -1.652500    
 H    5.453700       1.270200     -9.8499998E-02
 H    5.566800     -0.3830000     -0.7854000    
 H    1.452000       3.921900      -1.140600    
 H    2.318300       3.975500      0.3902000    
 H    1.992800      -2.004200      0.8526000    
 H    1.022400     -0.6091000      0.4098000    
 H   0.5752000       2.534200       1.457500    
 H  -6.4999998E-02   4.026400      0.8035000    
 H  -0.2641000       1.297400     -0.5765000    
 H  -0.8550000       2.821400      -1.242900    
 H   0.3169000      -1.733800      -1.662600    
 H    1.319400      -3.148700      -1.249100    
 H   -2.362800       3.073200      0.7633000    
 H   -1.766000       1.533200       1.388100    
 H   -2.592300      0.3900000     -0.6984000    
 H   -3.205800       1.931700      -1.283800    
 H   -4.711100       2.069400      0.7288000    
 H   -4.125900      0.4926000       1.250800    
 H   -5.603800       1.055000      -1.375400    
 H   -5.010300     -0.5277000     -0.8665000    
 H   -7.089500       1.150000      0.6395000    
 H   -7.419900     -0.2811000     -0.3518000    
 H   -6.492800     -0.4418000       1.149700    
 H  -0.9600000      -4.460900      -1.496800    


%chk=000161112-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161112

1 1
S -0.630009 -2.920673 -0.413668
O -0.979963 -4.089872 -1.792013
O -1.595003 -1.616144 -0.463008
O -0.391571 -3.695452 0.985160
N 3.814442 0.049537 0.179711
C 2.954367 1.308421 0.502831
C 3.064667 -0.955240 -0.731151
C 2.457988 2.109514 -0.708395
C 4.196406 -0.615744 1.502984
C 5.101904 0.458943 -0.537370
C 1.666521 3.368272 -0.243107
C 1.726569 -1.456482 -0.159519
C 0.359562 3.087608 0.541405
C -0.692904 2.257636 -0.230688
C 1.080334 -2.437163 -1.149837
C -2.043375 2.149821 0.514189
C -3.085464 1.291635 -0.237252
C -4.443338 1.205355 0.494402
C -5.481746 0.340733 -0.256413
C -6.837624 0.256707 0.476829
H 3.594848 1.939271 1.146228
H 2.110781 0.951105 1.114723
H 2.909420 -0.443043 -1.695391
H 3.765915 -1.793285 -0.895307
H 1.798690 1.495150 -1.348434
H 3.307908 2.450583 -1.328593
H 3.290652 -0.828111 2.088136
H 4.739565 -1.551090 1.296612
H 4.842744 0.072000 2.069498
H 4.862108 0.852814 -1.534792
H 5.610885 1.233917 0.055744
H 5.752304 -0.424268 -0.633545
H 1.417640 3.949103 -1.151590
H 2.335421 4.012669 0.362729
H 1.868079 -1.975387 0.805907
H 1.030861 -0.612013 0.000403
H 0.577358 2.601504 1.515651
H -0.088410 4.066628 0.800909
H -0.321756 1.227159 -0.425296
H -0.860928 2.717054 -1.226984
H 0.826057 -2.004831 -2.129830
H 1.603053 -3.400093 -1.253945
H -2.450219 3.169973 0.673351
H -1.875879 1.721027 1.524565
H -2.683658 0.266026 -0.379818
H -3.244332 1.712201 -1.252584
H -4.854025 2.227099 0.636656
H -4.288780 0.787027 1.511009
H -5.636015 0.757560 -1.272792
H -5.068880 -0.679061 -0.396648
H -7.284527 1.260900 0.601819
H -7.561191 -0.365926 -0.080174
H -6.718563 -0.184328 1.484448
H -1.871490 -4.522246 -1.651056


