%chk=000063151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063151

0 1
 S   -1.444400     -0.3656000      0.8437000    
 O    3.078600       1.724700     -0.2543000    
 N   0.9667000      0.7743000      0.1667000    
 N   -4.130900      -2.479500      0.4635000    
 N   -4.405200     -0.6369000     -0.8437000    
 N   0.7900000      -1.600000      0.3702000    
 C   -5.554100      -2.329700      0.5061000    
 C   -3.580200      -1.495500     -0.3000000    
 C   -5.754700      -1.111100     -0.4073000    
 C   -2.107800      -1.394300     -0.4796000    
 C   0.2582000     -0.4189000      0.3928000    
 C    2.979200     -0.5940000     -5.4200001E-02
 C    2.361600      0.7498000     -4.0600002E-02
 C    2.163100      -1.711800      0.1269000    
 C   0.3260000       2.058200      9.2100002E-02
 C    4.354500     -0.7419000     -0.2698000    
 C    2.741400      -2.986200      8.9800000E-02
 C  -0.1582000       2.511800      -1.127700    
 C   0.1999000       2.828600       1.240400    
 C    4.917400      -2.016900     -0.3039000    
 C    4.111600      -3.138800     -0.1255000    
 C  -0.7797000       3.758300      -1.200400    
 C  -0.4216000       4.075200       1.167600    
 C  -0.9115000       4.540100     -5.2800000E-02
 H   -5.902200      -2.128100       1.523300    
 H   -6.065600      -3.214300      0.1159000    
 H   -6.347300      -1.376600      -1.289500    
 H   -6.272300     -0.3050000      0.1232000    
 H   -1.886800     -0.9423000      -1.451500    
 H   -1.671100      -2.397100     -0.4471000    
 H   -3.626400      -3.201200      0.9633000    
 H    5.000500      0.1194000     -0.4153000    
 H    2.125100      -3.870800      0.2328000    
 H  -6.0300000E-02   1.909200      -2.026600    
 H   0.5793000       2.474800       2.195100    
 H    5.983900      -2.135400     -0.4713000    
 H    4.549500      -4.132300     -0.1518000    
 H   -1.161400       4.120100      -2.150700    
 H  -0.5241000       4.683800       2.061200    
 H   -1.395600       5.510700     -0.1095000    


%chk=000063151-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063151

0 1
S -1.921779 0.815718 -0.984788
O 2.834284 1.620665 0.621633
N 0.655118 1.109734 -0.104475
N -2.681361 -2.431492 0.076571
N -4.736784 -1.704545 -0.686614
N -0.067780 -1.156687 -0.475988
C -3.598783 -3.109484 1.016426
C -3.419780 -1.622862 -0.780156
C -4.999130 -2.726648 0.391658
C -2.721288 -0.738288 -1.767813
C -0.296791 0.145736 -0.473520
C 2.256831 -0.715070 0.257844
C 1.998923 0.736518 0.291609
C 1.215863 -1.617168 -0.128769
C 0.322798 2.531657 -0.095381
C 3.537281 -1.213354 0.612620
C 1.480397 -3.014375 -0.157010
C 0.745329 3.350714 -1.164192
C -0.394563 3.067535 0.996032
C 3.786334 -2.595343 0.584048
C 2.752789 -3.494296 0.196185
C 0.430958 4.726298 -1.144954
C -0.708563 4.444378 1.006426
C -0.298006 5.273422 -0.062820
H -3.483662 -2.721380 2.048838
H -3.432159 -4.201965 1.037047
H -5.495425 -3.604625 -0.062907
H -5.690407 -2.302260 1.140674
H -3.450005 -0.321412 -2.477725
H -1.908255 -1.264387 -2.291873
H -1.664092 -2.319485 0.158036
H 4.309272 -0.493793 0.904263
H 0.678971 -3.693145 -0.465453
H 1.314427 2.914967 -1.991392
H -0.697374 2.415882 1.822049
H 4.772978 -2.982782 0.857714
H 2.951524 -4.571388 0.171154
H 0.755492 5.369056 -1.970002
H -1.267740 4.867194 1.847644
H -0.540741 6.341561 -0.051139


