%chk=000290747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290747

0 1
S 2.628781 -0.727187 1.800594
S -1.618246 0.320077 -0.561766
O 0.482756 1.744172 2.453492
O 1.204100 1.457709 0.349195
O 2.237049 -1.983977 -0.486978
O -4.661382 2.377977 -1.981926
O -2.611540 1.820201 -1.505721
N -0.604037 -0.877031 0.232690
N -3.855593 1.616037 -1.488354
C -0.059338 -0.363137 1.498096
C 0.949638 -1.344148 2.104720
C 0.632803 1.001172 1.309367
C -3.211475 -0.385626 -0.295742
C -4.255732 0.393280 -0.826409
C 4.203232 -0.567147 -0.363941
C 2.963591 -1.227267 0.085341
C -3.503759 -1.591110 0.354942
C -5.603078 -0.013492 -0.712355
C -4.829986 -1.991768 0.466567
C -5.879032 -1.205798 -0.063029
C 5.331280 -1.341861 -0.674859
C 4.235342 0.829173 -0.490200
C 6.500394 -0.709959 -1.103093
C 5.408939 1.450410 -0.926983
C 6.538964 0.684113 -1.228747
H -0.919454 -0.216589 2.216309
H 0.820369 -2.368956 1.693532
H 0.825048 -1.423527 3.203258
H 0.125585 -1.240357 -0.401137
H -2.690832 -2.204110 0.756608
H -6.392948 0.613054 -1.134714
H -5.073712 -2.930301 0.969459
H -6.908479 -1.547745 0.041637
H 5.293681 -2.427554 -0.583403
H 3.342846 1.426374 -0.261692
H 7.381750 -1.303152 -1.342776
H 5.439146 2.534514 -1.032262
H 7.453179 1.172876 -1.565621
H 0.913249 2.638560 2.395203


%chk=000290747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290747

0 1
S 2.626920 0.138678 1.930385
S -1.934195 0.979415 -0.653182
O 0.307691 2.583741 2.843344
O 0.540085 2.769251 0.532979
O 1.937969 -0.957359 -0.483296
O -6.144369 1.365188 -2.099231
O -3.982764 2.053007 -1.827182
N -0.642879 0.098712 0.243373
N -4.939186 1.180670 -1.673608
C -0.259179 0.628034 1.551083
C 0.802326 -0.294855 2.217800
C 0.239638 2.091957 1.532260
C -3.287597 -0.276877 -0.472820
C -4.601686 -0.063530 -0.977440
C 4.310338 -0.526208 -0.260030
C 2.898984 -0.536919 0.213979
C -3.031006 -1.505439 0.183377
C -5.626436 -1.033390 -0.832697
C -4.041223 -2.473918 0.328685
C -5.347160 -2.241744 -0.177567
C 4.546592 -0.885297 -1.616693
C 5.406355 -0.176481 0.574195
C 5.858436 -0.891004 -2.128892
C 6.717364 -0.183236 0.056035
C 6.946600 -0.539448 -1.294351
H -1.150091 0.619879 2.210889
H 0.645651 -1.330595 1.875962
H 0.718520 -0.240014 3.313993
H 0.145321 -0.213072 -0.345556
H -2.012784 -1.664933 0.555677
H -6.613703 -0.805078 -1.243553
H -3.811310 -3.417326 0.836133
H -6.129870 -2.997931 -0.062871
H 3.691186 -1.151246 -2.245759
H 5.239499 0.089615 1.623645
H 6.034971 -1.165286 -3.174219
H 7.559648 0.085201 0.702116
H 7.966948 -0.543540 -1.693245
H 0.647495 3.519277 2.835588


