%chk=000239090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239090

0 1
S -0.226531 -3.451923 -0.600158
O 1.164687 -1.353666 -0.428410
O -0.665766 0.463438 1.846316
O 0.129253 1.199741 -1.593392
O -2.300650 -1.529580 0.660079
O 3.374416 1.516910 -0.609822
O -2.819696 0.996168 2.325403
O 0.113719 3.449299 -1.324910
O -3.757848 -0.685565 -0.853713
O 4.235517 0.614172 1.279333
C -0.926764 0.472679 0.412905
C 0.395684 1.005208 -0.177330
C -1.193114 -0.965481 -0.079667
C 1.547928 -0.011573 -0.034061
C 0.003632 -1.864596 0.242454
C 2.730542 0.268475 -0.969862
C 1.338408 -4.316298 -0.209468
C -1.713941 0.719470 2.717685
C -0.001553 2.502075 -2.061613
C -3.585105 -1.271449 0.185227
C 1.321086 -5.599535 -1.009584
C -1.196112 0.600431 4.106188
C -0.289025 2.440892 -3.516979
C 4.135345 1.566596 0.544501
C -4.559321 -1.820346 1.160607
C 4.725612 2.925961 0.659811
H -1.793224 1.140189 0.194657
H 0.679608 1.982485 0.288590
H -1.434492 -0.940367 -1.175065
H 1.868051 -0.043633 1.037902
H 0.191920 -1.954936 1.332107
H 3.464928 -0.556629 -0.937727
H 2.404956 0.466322 -2.010148
H 1.401905 -4.507690 0.876712
H 2.192749 -3.666545 -0.485022
H 0.472741 -6.246704 -0.746072
H 1.265946 -5.414148 -2.092243
H 2.235854 -6.182670 -0.832154
H -1.440759 1.500185 4.693713
H -1.655369 -0.259982 4.619999
H -0.102966 0.459845 4.141477
H 0.446400 3.028159 -4.089392
H -0.278828 1.408364 -3.907326
H -1.284941 2.862957 -3.734904
H -4.821865 -1.045019 1.904816
H -4.157347 -2.681109 1.718361
H -5.489602 -2.131570 0.661393
H 4.511220 3.365169 1.647280
H 5.821662 2.887004 0.552516
H 4.340952 3.619519 -0.107509


%chk=000239090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239090

0 1
S -0.352310 -3.630727 -0.699211
O 1.209612 -1.410875 -0.696815
O -0.491216 0.324051 1.851212
O 0.261481 1.222403 -1.669864
O -2.301474 -1.503027 0.585570
O 3.358256 1.621063 -0.663133
O -2.677424 0.995468 2.352309
O -0.132336 3.464017 -1.135055
O -3.686377 -0.442620 -0.967234
O 4.437696 0.831023 1.249633
C -0.773216 0.414474 0.389810
C 0.533229 0.941835 -0.237087
C -1.130664 -0.987017 -0.153455
C 1.650548 -0.109046 -0.143936
C 0.041980 -1.962544 0.032050
C 2.897304 0.240729 -0.967889
C 1.216213 -4.542150 -0.123999
C -1.548491 0.626997 2.734835
C -0.082165 2.554630 -1.989309
C -3.561968 -1.110432 0.080767
C 1.197159 -5.973256 -0.677193
C -1.099082 0.422232 4.162533
C -0.389609 2.670165 -3.462431
C 4.147450 1.780696 0.488933
C -4.660493 -1.585944 0.995613
C 4.577160 3.222808 0.629603
H -1.610701 1.115168 0.227284
H 0.824675 1.881884 0.264275
H -1.373772 -0.884867 -1.227920
H 1.911733 -0.224167 0.928452
H 0.297303 -2.080726 1.103845
H 3.703059 -0.479958 -0.751714
H 2.651777 0.256199 -2.038865
H 1.222299 -4.534182 0.980221
H 2.077036 -3.967320 -0.500649
H 0.316341 -6.534602 -0.317532
H 1.179628 -5.973485 -1.781419
H 2.103837 -6.515099 -0.350383
H -1.790462 0.936589 4.845721
H -1.105116 -0.658066 4.396108
H -0.070532 0.789226 4.307604
H -0.386109 3.728387 -3.761178
H 0.337719 2.097541 -4.060023
H -1.390372 2.245080 -3.661015
H -4.739553 -0.874689 1.838623
H -4.428104 -2.580804 1.407111
H -5.617813 -1.603787 0.454287
H 5.023525 3.383884 1.621342
H 5.324146 3.465733 -0.147261
H 3.718095 3.897808 0.480330


