%chk=000242059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242059

0 1
S 3.868059 0.654547 -1.973974
S -3.868020 0.654506 1.974022
O 4.036189 -0.665714 -3.018103
O -4.036129 -0.665781 3.018121
O 3.149650 1.619248 -2.767083
O 5.226146 0.950201 -1.544881
O -3.149619 1.619214 2.767125
O -5.226121 0.950147 1.544957
N 4.905260 -0.594432 0.618736
N -4.905233 -0.594426 -0.618713
C 0.732674 -0.589831 0.079011
C -0.732641 -0.589828 -0.078997
C 2.963064 -0.018476 -0.720294
C -2.963031 -0.018491 0.720324
C 2.678945 -1.201464 1.425611
C -2.678915 -1.201434 -1.425607
C 1.554146 -0.017495 -0.872277
C -1.554112 -0.017513 0.872305
C 1.316270 -1.191271 1.231665
C -1.316239 -1.191244 -1.231663
C 3.541831 -0.591352 0.433044
C -3.541802 -0.591344 -0.433025
C 3.266130 -1.835964 2.644884
C -3.266100 -1.835911 -2.644895
H 1.115407 0.458136 -1.758566
H -1.115372 0.458099 1.758603
H 0.651124 -1.651251 1.967428
H -0.651093 -1.651208 -1.967435
H 3.948638 -2.658888 2.387749
H 3.812373 -1.108127 3.261652
H 2.493244 -2.270850 3.296205
H -3.812345 -1.108061 -3.261647
H -2.493215 -2.270783 -3.296224
H -3.948608 -2.658841 -2.387776
H 5.312096 -0.952332 1.465551
H 5.544609 -0.082877 -0.007278
H -5.312072 -0.952319 -1.465529
H -5.544586 -0.082900 0.007321
H 4.297616 -0.460534 -3.925217
H -4.297816 -0.460655 3.925171


%chk=000242059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242059

0 1
S 3.991629 0.067447 -2.331867
S -3.991594 0.067390 2.331913
O 4.165589 -1.703562 -2.895655
O -4.165566 -1.703635 2.895646
O 3.138014 0.865631 -3.447847
O 5.487659 0.593235 -1.944802
O -3.137956 0.865526 3.447910
O -5.487628 0.593206 1.944898
N 4.994995 -0.484167 0.612813
N -4.994980 -0.484157 -0.612814
C 0.738289 -0.543119 0.079923
C -0.738275 -0.543117 -0.079910
C 2.986503 -0.263822 -0.811535
C -2.986489 -0.263838 0.811557
C 2.743860 -0.812155 1.540586
C -2.743846 -0.812121 -1.540578
C 1.594452 -0.268287 -1.007922
C -1.594438 -0.268309 1.007941
C 1.357294 -0.822518 1.336384
C -1.357280 -0.822488 -1.336377
C 3.627818 -0.519818 0.436921
C -3.627805 -0.519807 -0.436908
C 3.342691 -1.114544 2.900011
C -3.342677 -1.114482 -2.900008
H 1.201207 -0.010556 -1.996596
H -1.201191 -0.010603 1.996621
H 0.721948 -1.076770 2.192676
H -0.721934 -1.076722 -2.192674
H 4.013564 -1.996290 2.868225
H 3.931311 -0.259422 3.289014
H 2.553235 -1.329926 3.637735
H -3.931297 -0.259350 -3.288993
H -2.553222 -1.329849 -3.637737
H -4.013552 -1.996226 -2.868240
H 5.395178 -0.671643 1.527196
H 5.599532 -0.166269 -0.154668
H -5.395150 -0.671620 -1.527206
H -5.599528 -0.166269 0.154662
H 4.708303 -1.692187 -3.737983
H -4.708264 -1.692283 3.737985


