%chk=000144847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000144847

0 1
 S   -1.134600      -2.547100     -0.9863000    
 O    1.107400      -2.017500       1.080300    
 N   -1.500700     -6.1500002E-02  0.2008000    
 N    1.496600     -8.1100002E-02 -0.1839000    
 C   6.0000003E-04   1.890900     -0.1129000    
 C  -0.8954000       1.104000      0.8502000    
 C   0.9054000       1.000300     -0.9705000    
 C   -2.900000      8.6700000E-02 -0.1937000    
 C    2.884800      7.1400002E-02  0.2210000    
 C  -0.7172000      -1.170600     -0.1324000    
 C   0.7317000      -1.141100      0.3101000    
 C   -3.075100       1.326100      -1.066800    
 C   -3.773500      0.1677000       1.054200    
 C    3.084100       1.405400      0.9351000    
 C    3.786000     -3.3700000E-02  -1.005200    
 H   0.6012000       2.591300      0.4777000    
 H  -0.6012000       2.513300     -0.7834000    
 H  -0.2955000      0.7444000       1.695500    
 H   -1.643900       1.769100       1.287900    
 H   0.3127000      0.5465000      -1.774000    
 H    1.666300       1.605500      -1.470500    
 H   -3.226200     -0.7807000     -0.7730000    
 H    3.151200     -0.7356000      0.9128000    
 H   -4.095600       1.358200      -1.465700    
 H   -2.923800       2.262300     -0.5208000    
 H   -2.391200       1.306300      -1.922000    
 H   -3.592100     -0.6888000       1.713000    
 H   -4.832800      0.1526000      0.7739000    
 H   -3.611200       1.077700       1.639100    
 H    4.099500       1.461000       1.343800    
 H    2.963100       2.268600      0.2735000    
 H    2.388000       1.511100       1.773900    
 H    3.598100     -0.9674000      -1.547000    
 H    4.839000     -2.9999999E-02 -0.7027000    
 H    3.649100      0.7920000      -1.710000    


%chk=000144847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000144847

0 1
S -1.179789 -2.366098 -1.161028
O 1.124370 -1.892751 1.135748
N -1.524237 0.037264 0.149531
N 1.521455 0.044697 -0.124770
C -0.010705 2.042064 -0.110111
C -0.921915 1.212296 0.833265
C 0.927649 1.124495 -0.941616
C -2.980767 0.065704 -0.195504
C 2.968998 0.066011 0.239593
C -0.720337 -1.021473 -0.203445
C 0.717294 -0.992548 0.339498
C -3.317054 1.241439 -1.139486
C -3.845148 0.062139 1.085060
C 3.351697 1.358518 0.995218
C 3.852275 -0.169294 -1.007068
H 0.581230 2.740595 0.511699
H -0.620997 2.647539 -0.806418
H -0.334265 0.858150 1.699521
H -1.734465 1.841657 1.230057
H 0.361558 0.678354 -1.780812
H 1.740939 1.721535 -1.386265
H -3.149125 -0.882186 -0.740882
H 3.087636 -0.793236 0.924631
H -4.380414 1.183004 -1.433130
H -3.159819 2.224126 -0.656191
H -2.706456 1.195829 -2.058298
H -3.582785 -0.794487 1.729250
H -4.911527 -0.025880 0.809931
H -3.729258 0.992706 1.671906
H 4.410774 1.307995 1.305659
H 3.235161 2.258010 0.361426
H 2.734609 1.483649 1.902582
H 3.572210 -1.111903 -1.507731
H 4.914795 -0.236216 -0.710583
H 3.761214 0.655596 -1.739236


