%chk=000161111.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161111

0 1
 S    6.017500      -1.772700     -7.5000003E-02
 O    6.112600      -1.482100      -1.504800    
 O    7.296700      -2.003600      0.5942000    
 O    4.950100      -2.700200      0.2967000    
 N    2.260500       1.860100     -2.8500000E-02
 C    1.278800      0.7623000      0.1342000    
 C    3.607700       1.489100      0.6087000    
 C  -0.1447000       1.278200     -4.6000000E-02
 C    2.504700       2.160300      -1.514700    
 C    1.757400       3.148000      0.6399000    
 C   -1.212900      0.1997000      0.1618000    
 C    4.132500      0.1819000      3.0300001E-02
 C   -2.644900      0.7348000      5.5700000E-02
 C   -3.714600     -0.3513000      0.1908000    
 C    5.475000     -0.2391000      0.6121000    
 C   -5.119500      0.2282000      1.5000000E-03
 C   -6.186600     -0.8644000      9.7999997E-02
 C   -7.615600     -0.3351000     -5.3199999E-02
 C   -8.677100      -1.435700     -3.0500000E-02
 C   -10.07750     -0.8584000     -0.1711000    
 H    1.387800      0.3527000       1.146200    
 H    1.488200     -2.9999999E-02 -0.5932000    
 H    3.442500       1.400500       1.689200    
 H    4.306100       2.314500      0.4271000    
 H  -0.2770000       1.710300      -1.044400    
 H  -0.3861000       2.055600      0.6857000    
 H    3.355700       2.842700      -1.598900    
 H    1.610300       2.638500      -1.924600    
 H    2.689500       1.229200      -2.055300    
 H   0.9384000       3.580900      5.8699999E-02
 H    2.585600       3.864900      0.6469000    
 H    1.466100       2.917900       1.669200    
 H   -1.066800     -0.5935000     -0.5818000    
 H   -1.077200     -0.2617000       1.147900    
 H    3.420000     -0.6284000      0.2142000    
 H    4.247300      0.2592000      -1.054700    
 H   -2.803500       1.497600      0.8279000    
 H   -2.763300       1.236400     -0.9130000    
 H   -3.635900     -0.8232000       1.177500    
 H   -3.536800      -1.133100     -0.5575000    
 H    6.244000      0.5110000      0.3998000    
 H    5.405900     -0.3685000       1.697200    
 H   -5.189400      0.7201000     -0.9762000    
 H   -5.307600      0.9938000      0.7639000    
 H   -6.097000      -1.376700       1.064000    
 H   -5.999900      -1.617600     -0.6778000    
 H   -7.817400      0.3824000      0.7518000    
 H   -7.693600      0.2189000     -0.9971000    
 H   -8.609800      -1.996300      0.9089000    
 H   -8.494200      -2.144800     -0.8461000    
 H   -10.18540     -0.3165000      -1.116200    
 H   -10.82150      -1.661000     -0.1527000    
 H   -10.30170     -0.1684000      0.6486000    


%chk=000161111-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161111

0 1
S 6.031979 0.090961 -1.100958
O 5.754014 1.743290 -0.969440
O 7.586315 -0.338463 -1.327125
O 4.894434 -0.656391 -2.053537
N 2.421217 1.573337 0.146153
C 1.188181 0.744392 0.551499
C 3.648288 1.104361 0.983497
C -0.137731 1.125773 -0.126011
C 2.718132 1.455827 -1.355702
C 2.218181 3.046908 0.470033
C -1.279875 0.206944 0.377268
C 4.024602 -0.389484 0.837494
C -2.653236 0.586047 -0.221321
C -3.802120 -0.317052 0.281086
C 5.542678 -0.560649 0.688307
C -5.185179 0.100301 -0.267762
C -6.339199 -0.793660 0.239500
C -7.726606 -0.349854 -0.276949
C -8.883109 -1.239522 0.233661
C -10.266574 -0.778181 -0.273648
H 1.102050 0.844325 1.650148
H 1.441800 -0.304160 0.322812
H 3.403996 1.362597 2.030074
H 4.492760 1.717566 0.604998
H -0.056513 1.026826 -1.224395
H -0.408705 2.176301 0.094321
H 3.696831 1.936076 -1.544750
H 1.896669 1.935636 -1.908597
H 2.839990 0.400672 -1.644405
H 1.413659 3.457734 -0.156372
H 3.159321 3.574250 0.252610
H 1.961309 3.156826 1.535854
H -1.046696 -0.847445 0.124073
H -1.340121 0.259973 1.484323
H 3.656877 -0.975595 1.700540
H 3.589406 -0.839918 -0.077920
H -2.883654 1.642317 0.030921
H -2.601066 0.533172 -1.328302
H -3.829061 -0.293826 1.390775
H -3.595577 -1.369618 -0.003576
H 6.161156 0.030157 1.382029
H 5.851203 -1.616879 0.676249
H -5.163730 0.077008 -1.377258
H -5.388207 1.154054 0.017054
H -6.345161 -0.789657 1.349841
H -6.152596 -1.844282 -0.066347
H -7.912969 0.700983 0.029305
H -7.725336 -0.353908 -1.387102
H -8.877082 -1.242672 1.342991
H -8.702879 -2.287748 -0.080809
H -10.309046 -0.794138 -1.379124
H -11.075431 -1.429905 0.104594
H -10.484189 0.255790 0.054701


