%chk=000179889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179889

0 1
S 5.031496 -0.587221 -0.353006
O 3.375851 -0.386704 -0.259055
O 4.943060 -0.994381 -1.962895
O 5.657845 0.684645 -0.205095
O 5.424872 -1.729443 0.393818
C -1.468494 0.410761 0.092232
C -0.690922 -0.770384 0.145845
C 1.333590 0.552553 0.406771
C -2.913146 0.308573 -0.070161
C 2.830577 0.664989 0.590634
C 0.716568 -0.681420 0.307201
C -3.509520 -0.970927 -0.171629
C -0.808991 1.665403 0.198113
C 0.560651 1.739769 0.348869
C -1.336387 -2.061578 0.038214
C -2.681087 -2.156740 -0.113190
C -3.747428 1.457247 -0.130408
C 3.256173 0.433103 2.031560
C -4.917094 -1.081122 -0.330105
C -5.114064 1.331760 -0.284821
C -5.705683 0.050881 -0.385711
H 3.226308 1.631058 0.192308
H 1.315156 -1.593961 0.342685
H -1.402816 2.580513 0.156226
H 1.052335 2.708667 0.424453
H -0.706964 -2.950392 0.083054
H -3.173565 -3.125744 -0.194732
H -3.294670 2.446723 -0.053096
H 3.167481 -0.625378 2.318090
H 2.618522 0.995586 2.729041
H 4.289174 0.750741 2.225398
H -5.365418 -2.070835 -0.407131
H -5.748469 2.215721 -0.330409
H -6.784797 -0.029870 -0.507120
H 4.041654 -0.976495 -2.349148


%chk=000179889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179889

0 1
S 5.209963 -0.098478 -0.642091
O 3.358225 -0.235833 -0.379597
O 5.007996 -0.384840 -2.430781
O 5.666378 1.411560 -0.323012
O 6.055636 -1.328741 -0.064702
C -1.500022 0.394488 0.099680
C -0.783956 -0.813788 0.436808
C 1.333239 0.444688 0.587813
C -2.944125 0.329190 -0.135920
C 2.829537 0.496433 0.836086
C 0.620616 -0.763253 0.674137
C -3.614415 -0.945339 -0.031973
C -0.751215 1.608445 0.006181
C 0.628787 1.634941 0.235140
C -1.496709 -2.069464 0.529391
C -2.857034 -2.131450 0.302803
C -3.729069 1.477161 -0.466650
C 3.322395 -0.169290 2.126635
C -5.022723 -1.025407 -0.260383
C -5.109600 1.376755 -0.686561
C -5.765286 0.116142 -0.583685
H 3.187566 1.542400 0.777140
H 1.145142 -1.694050 0.917869
H -1.256004 2.544403 -0.249733
H 1.178761 2.579484 0.150029
H -0.931085 -2.973460 0.782927
H -3.390454 -3.086455 0.373820
H -3.255313 2.459861 -0.552195
H 3.076222 -1.244049 2.142202
H 2.846008 0.311524 2.999466
H 4.416560 -0.064800 2.238028
H -5.515847 -2.001157 -0.177636
H -5.688127 2.272087 -0.938494
H -6.844385 0.044768 -0.756706
H 4.044132 -0.178377 -2.619236


