%chk=000267321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267321

0 1
S 2.331390 -1.947879 0.668352
O 0.456928 -1.635983 -1.089315
O 0.137243 1.230273 -2.351884
O -1.919654 0.332043 0.902209
O -2.962772 -1.953656 -0.409327
O 4.480826 0.771981 -0.342451
O -1.194246 2.918161 -1.638873
O -0.277121 1.302659 2.109105
O -4.596599 -1.530295 1.109253
N 2.328736 0.928346 0.401139
C 0.295445 0.753462 -0.987593
C -0.490246 -0.563486 -0.849373
C 1.791072 0.367341 -0.846539
C 1.799637 -1.183301 -0.906529
C -1.056225 -0.794525 0.568557
C -1.956712 -2.031369 0.635214
C 3.717043 1.038898 0.573426
C 4.080558 -2.370140 0.320224
C -0.642526 2.358930 -2.555822
C -1.425329 1.328415 1.720702
C 4.149609 1.541236 1.918419
C 4.656433 -2.889586 1.617998
C -0.637278 2.677440 -4.006257
C -4.260465 -1.636455 -0.044299
C -2.486731 2.337240 1.945926
C -5.073570 -1.509052 -1.284330
H -0.028268 1.557104 -0.287998
H -1.266301 -0.701894 -1.635565
H 2.384424 0.775998 -1.714863
H 2.365623 -1.591196 -1.768335
H -0.234356 -0.869811 1.324647
H 1.694257 0.951341 1.210344
H -2.442828 -2.134333 1.625005
H -1.386080 -2.945203 0.367033
H 4.620988 -1.467449 -0.040149
H 4.125862 -3.129195 -0.481585
H 3.639754 2.471027 2.207600
H 5.231711 1.747344 1.916716
H 3.958339 0.801367 2.709254
H 5.712144 -3.170042 1.489053
H 4.622531 -2.139894 2.420397
H 4.130268 -3.783400 1.982040
H -0.152228 3.650881 -4.190202
H -1.664653 2.748106 -4.398236
H -0.098417 1.922095 -4.603623
H -3.493585 1.885367 1.979209
H -2.322909 2.890693 2.883349
H -2.500523 3.073555 1.119157
H -5.348362 -0.456500 -1.459686
H -6.010433 -2.081789 -1.198634
H -4.536707 -1.864873 -2.178558


%chk=000267321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267321

0 1
S 2.277624 -2.080211 0.671437
O 0.495109 -1.450788 -1.378590
O 0.400298 1.374565 -2.519333
O -1.946947 0.405178 0.823546
O -2.884652 -1.972964 -0.387553
O 4.480246 0.725598 0.117112
O -1.438914 2.732423 -2.042074
O -0.302943 1.587703 1.975343
O -4.348468 -1.737153 1.425773
N 2.223709 1.021879 0.559908
C 0.393000 0.913364 -1.103004
C -0.443108 -0.375449 -0.990795
C 1.838813 0.490687 -0.744829
C 1.837784 -1.089175 -0.897985
C -0.972811 -0.660084 0.441033
C -1.721763 -1.990066 0.533127
C 3.555858 1.088945 0.915996
C 4.066347 -2.564420 0.216145
C -0.595814 2.304890 -2.863406
C -1.499515 1.465877 1.606115
C 3.841899 1.619783 2.313558
C 4.707142 -3.293851 1.404040
C -0.476651 2.682899 -4.320872
C -4.155325 -1.788640 0.193488
C -2.620978 2.428769 1.893344
C -5.200218 -1.666490 -0.892136
H 0.017150 1.739480 -0.482180
H -1.279344 -0.408014 -1.706110
H 2.547207 0.887934 -1.491295
H 2.552769 -1.418724 -1.666659
H -0.138235 -0.667810 1.169645
H 1.483345 1.237684 1.241882
H -2.073250 -2.171657 1.563004
H -1.064056 -2.801046 0.183360
H 4.595864 -1.626022 -0.018528
H 4.015816 -3.212472 -0.675978
H 2.938569 1.981879 2.832643
H 4.576596 2.439918 2.246698
H 4.299842 0.815532 2.916061
H 5.743408 -3.582143 1.147021
H 4.747774 -2.643361 2.295685
H 4.152621 -4.212244 1.668044
H 0.539020 3.056675 -4.535471
H -1.220163 3.453926 -4.567565
H -0.637813 1.793944 -4.955481
H -3.541798 1.883782 2.155916
H -2.330251 3.112747 2.703418
H -2.827622 3.015982 0.979277
H -5.131780 -0.664713 -1.353776
H -6.203031 -1.793286 -0.459168
H -5.026663 -2.411263 -1.685530


