%chk=000015212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015212

0 1
 S   0.7724000      0.1174000       1.650300    
 O   -1.014700      0.9874000     -0.6486000    
 N   -4.501500       1.160300      0.4969000    
 C  -0.2284000      1.8600000E-02  -1.337200    
 C    1.148300      0.5774000      -1.716100    
 C  -0.1526000      -1.282800     -0.5751000    
 C    2.233100      0.8594000     -0.6913000    
 C   0.3030000      -1.346200      0.7515000    
 C    2.175400      0.6938000      0.7052000    
 C   -2.340200      0.5255000     -0.4609000    
 C   -3.124400       1.585700      0.2958000    
 C  -0.5229000      -2.475000      -1.220900    
 C    3.439400       1.348700      -1.248900    
 C   0.3628000      -2.581500       1.412900    
 C    3.301700       1.028200       1.487300    
 C  -0.4540000      -3.700800     -0.5592000    
 C  -1.2300000E-02  -3.753700      0.7583000    
 C    4.545800       1.667600     -0.4638000    
 C    4.475700       1.507300      0.9097000    
 C   -5.153000      0.8892000     -0.7870000    
 C   -5.253700       2.173400       1.241100    
 H  -0.7377000     -0.1632000      -2.295000    
 H   0.9712000       1.525700      -2.243300    
 H    1.588000     -0.1208000      -2.443400    
 H   -2.762200      0.3449000      -1.454300    
 H   -2.374800     -0.4053000      0.1152000    
 H   -2.633900       1.755100       1.263100    
 H   -3.066200       2.541000     -0.2435000    
 H  -0.8698000      -2.456900      -2.251500    
 H    3.518800       1.486900      -2.326600    
 H   0.7035000      -2.646200       2.444000    
 H    3.279400      0.9161000       2.570600    
 H  -0.7455000      -4.612300      -1.072500    
 H   4.0100001E-02  -4.706300       1.277000    
 H    5.454100       2.040600     -0.9268000    
 H    5.328900       1.754400       1.534200    
 H   -5.031200       1.711300      -1.501600    
 H   -6.229300      0.7336000     -0.6425000    
 H   -4.796000     -4.2199999E-02  -1.237400    
 H   -5.315800       3.123500      0.6980000    
 H   -4.785900       2.361500       2.214000    
 H   -6.271900       1.824600       1.446500    


%chk=000015212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015212

0 1
S 2.720108 -1.565669 0.708779
O -0.606499 0.465707 -0.740394
N -4.058887 1.575314 0.173126
C 0.098774 -0.653281 -1.413397
C 1.484345 -0.077834 -1.802417
C 0.091784 -1.937670 -0.582031
C 2.088701 0.808632 -0.731638
C 1.073438 -2.337689 0.369438
C 2.603560 0.254350 0.464561
C -2.059895 0.295353 -0.610402
C -2.594012 1.622190 -0.048471
C -1.020560 -2.805022 -0.777448
C 2.141848 2.215042 -0.887123
C 0.908797 -3.546288 1.098438
C 3.168669 1.067936 1.472965
C -1.183845 -4.007577 -0.063397
C -0.208192 -4.378410 0.888932
C 2.713456 3.041765 0.105081
C 3.231241 2.467061 1.288504
C -4.840595 1.689460 -1.075021
C -4.508830 2.547984 1.189514
H -0.454597 -0.882962 -2.352458
H 1.356600 0.512012 -2.726797
H 2.165324 -0.922562 -2.028740
H -2.498489 0.062507 -1.607084
H -2.310017 -0.529150 0.084897
H -2.094902 1.795973 0.921800
H -2.288892 2.457263 -0.727225
H -1.769958 -2.522100 -1.527673
H 1.725556 2.660024 -1.798019
H 1.667671 -3.830549 1.835872
H 3.547949 0.610371 2.392565
H -2.055867 -4.644130 -0.245892
H -0.311371 -5.304150 1.465220
H 2.750480 4.127018 -0.040466
H 3.670842 3.099735 2.067354
H -4.703900 2.675491 -1.590123
H -5.915317 1.567449 -0.850057
H -4.554636 0.893621 -1.784136
H -4.345656 3.615040 0.890369
H -3.971467 2.372067 2.137898
H -5.589057 2.411577 1.379298


