%chk=000244708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244708

0 1
S 1.904209 0.029031 -1.245458
O -0.961561 0.004162 2.107075
O 3.357238 0.030457 -1.300771
O 1.176541 0.036855 -2.505719
C -0.549933 0.014055 0.715135
C 0.233607 1.309494 0.501006
C 0.235257 -1.277264 0.483364
C 1.367993 1.388179 -0.308781
C 1.369903 -1.343289 -0.327067
C -1.846754 0.018716 -0.084783
C -0.218396 2.455002 1.173674
C -0.215042 -2.432430 1.140533
C 2.067806 2.593367 -0.423379
C 2.071716 -2.545748 -0.457757
C -1.817820 0.028178 -1.485422
C -3.076352 0.013537 0.590016
C 0.473774 3.661953 1.047170
C 0.479086 -3.636393 0.998076
C 1.625041 3.732032 0.255792
C 1.630649 -3.694057 0.205991
C -3.016873 0.032351 -2.203920
C -4.270822 0.017785 -0.134339
C -4.243311 0.027188 -1.532623
H -1.117708 2.392688 1.792562
H -1.114599 -2.379761 1.759967
H 2.970895 2.647236 -1.042361
H 2.975046 -2.589788 -1.077132
H -0.173011 0.000132 2.693637
H -0.868257 0.032445 -2.038017
H -3.096762 0.006117 1.682391
H 0.114333 4.550773 1.567719
H 0.121154 -4.532696 1.506702
H 2.171454 4.669785 0.163614
H 2.178547 -4.629646 0.101569
H -2.988652 0.039657 -3.293317
H -5.223356 0.013743 0.392149
H -5.174142 0.030455 -2.096796


%chk=000244708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244708

0 1
S 2.004623 0.029408 -1.320491
O -0.964997 0.004607 2.180549
O 3.640567 0.030354 -1.344808
O 1.220348 0.038799 -2.761666
C -0.559336 0.014290 0.752972
C 0.232858 1.322559 0.521541
C 0.234201 -1.289980 0.504228
C 1.381728 1.471331 -0.278556
C 1.383151 -1.426929 -0.297869
C -1.880727 0.018770 -0.056679
C -0.224858 2.497213 1.179673
C -0.222101 -2.473737 1.146849
C 2.100627 2.671290 -0.417112
C 2.103426 -2.624113 -0.452300
C -1.842825 0.030506 -1.473412
C -3.128187 0.010872 0.610942
C 0.457923 3.722015 1.046731
C 0.462067 -3.695904 0.997706
C 1.630539 3.814102 0.260127
C 1.634688 -3.776291 0.209829
C -3.047399 0.034161 -2.208764
C -4.330044 0.014634 -0.133021
C -4.294944 0.026274 -1.544161
H -1.122198 2.423731 1.800877
H -1.119330 -2.409452 1.769247
H 3.005201 2.698033 -1.033599
H 3.007973 -2.641615 -1.069157
H -0.143164 0.001283 2.735669
H -0.889928 0.036644 -2.018125
H -3.151341 0.002050 1.703077
H 0.077192 4.609531 1.562482
H 0.082444 -4.590576 1.501769
H 2.166513 4.763879 0.169858
H 2.171765 -4.724168 0.107006
H -3.007359 0.043131 -3.303220
H -5.291394 0.008453 0.392282
H -5.226805 0.029146 -2.119974


