%chk=000147031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147031

0 1
 S    3.280700       1.402600     -0.7536000    
 O    4.074600      0.9854000      -1.895100    
 O    2.630400       2.700900     -0.7614000    
 O   -6.722100       2.201200      0.4008000    
 N  -2.0400001E-02  -1.949300     -0.3244000    
 N    2.096300      0.1998000     -0.4696000    
 N    4.259400       1.277800      0.6730000    
 C  -0.9764000      0.3036000     -0.8307000    
 C   -1.269000      -1.200700     -0.6096000    
 C   0.1090000      0.5312000      -1.892200    
 C    1.343100     -0.3246000      -1.639700    
 C   0.9667000      -1.786500      -1.406300    
 C   -2.259300       1.045200      -1.242200    
 C   -2.286100      -1.333900      0.5494000    
 C   -3.431200      0.7539000     -0.3446000    
 C   -3.457900     -0.3865000      0.4720000    
 C  -0.2584000      -3.379700     -0.1062000    
 C    1.046900      -4.085300      0.2527000    
 C   -4.541300       1.612500     -0.3687000    
 C   -4.581100     -0.6275000       1.279500    
 C   -5.655400       1.356900      0.4297000    
 C   -5.674100      0.2379000       1.256200    
 C    1.645900      -3.524000       1.533000    
 C    3.573600       1.523100       1.971900    
 C    5.127500      7.0900001E-02  0.7435000    
 C    4.529700       2.064600       2.981700    
 C    6.448900      0.3306000      0.1007000    
 H  -0.6280000      0.7333000      0.1198000    
 H   -1.730100      -1.603400      -1.524000    
 H  -0.2936000      0.2686000      -2.879700    
 H   0.3699000       1.595000      -1.936600    
 H    1.988700     -0.2887000      -2.524800    
 H   0.5806000      -2.216000      -2.340700    
 H    1.914600      -2.282900      -1.185200    
 H   -2.544300      0.7643000      -2.264400    
 H   -2.058100       2.124000      -1.241800    
 H   -1.781300      -1.158600       1.508900    
 H   -2.690100      -2.353200      0.5628000    
 H  -0.9500000      -3.544200      0.7263000    
 H  -0.6996000      -3.849600     -0.9943000    
 H    1.510000      0.3281000      0.3650000    
 H   0.8006000      -5.138900      0.4431000    
 H    1.782000      -4.123800     -0.5552000    
 H   -4.535400       2.487600      -1.014900    
 H   -4.608400      -1.496500       1.932800    
 H   -6.532900      2.6900001E-02   1.887600    
 H    2.501600      -4.133800       1.841500    
 H   0.9183000      -3.534200       2.351200    
 H    2.005300      -2.498700       1.402300    
 H    3.106900      0.5996000       2.333200    
 H    2.773000       2.257200       1.829100    
 H    4.629600     -0.7755000      0.2555000    
 H    5.288700     -0.2522000       1.776900    
 H   -7.401500       1.871900       1.014100    
 H    5.317200       1.353200       3.246700    
 H    5.020100       2.972800       2.614000    
 H    4.001600       2.322000       3.905800    
 H    6.362800      0.5748000     -0.9610000    
 H    6.963800       1.166500      0.5867000    
 H    7.093600     -0.5507000      0.1827000    


%chk=000147031-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147031

0 1
S 2.674276 1.498973 0.030150
O 3.041356 2.055475 -1.447299
O 1.640224 2.291824 1.004426
O -6.675564 2.485552 -0.175175
N -0.069600 -2.046445 -0.247423
N 2.098264 -0.251412 -0.207726
N 4.278093 1.343129 0.979317
C -0.917372 0.224103 -0.916989
C -1.293940 -1.255565 -0.620787
C 0.257219 0.344016 -1.911925
C 1.447952 -0.560448 -1.520321
C 0.934746 -2.008335 -1.344487
C -2.149190 0.982359 -1.458408
C -2.354976 -1.283953 0.504471
C -3.396643 0.799763 -0.606574
C -3.498004 -0.292746 0.298833
C -0.372091 -3.439418 0.193042
C 0.848650 -4.242710 0.700542
C -4.473533 1.706095 -0.738872
C -4.691387 -0.447387 1.045361
C -5.651312 1.537012 0.016413
C -5.769282 0.452341 0.918516
C 1.630873 -3.546481 1.834404
C 4.020384 0.924701 2.392220
C 5.276087 0.523085 0.215236
C 5.136714 1.478088 3.298994
C 6.134008 1.386252 -0.723955
H -0.619542 0.688060 0.046474
H -1.746663 -1.687562 -1.554682
H -0.079666 0.030532 -2.922247
H 0.589610 1.394869 -1.998903
H 2.224784 -0.526592 -2.302837
H 0.508346 -2.356565 -2.318482
H 1.781094 -2.662959 -1.084932
H -2.361514 0.630010 -2.491046
H -1.906553 2.058655 -1.545402
H -1.832178 -1.063906 1.459603
H -2.791326 -2.294727 0.606869
H -1.092737 -3.375872 1.025946
H -0.870422 -4.017469 -0.627966
H 1.427947 -0.466146 0.561935
H 0.458994 -5.215042 1.063034
H 1.535522 -4.489852 -0.132044
H -4.408585 2.555652 -1.427015
H -4.780880 -1.289587 1.743008
H -6.683303 0.311135 1.509952
H 2.431948 -4.203801 2.219947
H 0.962147 -3.292529 2.678101
H 2.096102 -2.609630 1.479978
H 3.949755 -0.181728 2.487996
H 3.054488 1.366409 2.696848
H 4.766994 -0.294757 -0.338249
H 5.913972 0.036578 0.977645
H -7.447422 2.288534 0.411281
H 6.129140 1.079549 3.021247
H 5.173445 2.577759 3.227118
H 4.938107 1.195031 4.349195
H 5.504194 1.864190 -1.491737
H 6.648223 2.179100 -0.153738
H 6.895626 0.759794 -1.225677


