%chk=000297985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297985

0 1
S 3.619602 -1.110318 -1.009993
S -0.786303 2.934129 -1.361897
O -2.137977 -1.621335 1.836483
O -0.295515 -0.654992 -0.703020
O -2.917141 -2.602070 -0.093431
O -0.006245 -2.528427 -2.018778
O 3.096425 -0.626853 0.527207
O -0.362087 3.878228 -0.005132
O 2.933609 -0.263851 -1.961419
O 5.054742 -1.100743 -0.979315
O -1.870156 2.087942 -0.886107
O -1.055425 3.906308 -2.386043
N 0.716308 1.428886 1.380083
C -0.963777 -2.058145 1.138338
C -1.495134 -2.680492 -0.182003
C -0.050900 -0.876252 0.720006
C -0.978930 -1.754551 -1.307905
C -3.300829 -1.652447 0.950615
C -0.394473 0.429868 1.443393
C -4.435335 -2.279852 1.731055
C -3.566571 -0.293977 0.353489
C 2.005048 0.921378 1.953154
C 0.335959 2.728781 2.021439
C 0.458787 -1.907800 -3.242230
C 3.012258 0.788240 0.797460
C -0.807649 3.439250 1.278213
C 2.978210 -2.710070 -0.976698
C 0.637069 2.049278 -1.711537
H -0.470062 -2.762666 1.831877
H -1.262225 -3.747964 -0.356008
H 1.026599 -1.151477 0.792833
H -1.741606 -1.318798 -1.977859
H -1.284293 0.877984 0.906071
H -0.731995 0.202424 2.478908
H -4.497011 -1.853483 2.741120
H -4.284292 -3.363542 1.841086
H -5.401151 -2.131414 1.233167
H -4.186603 -0.364545 -0.549951
H -2.638193 0.233800 0.037876
H -4.075155 0.376936 1.054071
H 2.420825 1.599373 2.727881
H 1.898698 -0.067911 2.453990
H 0.056541 2.622531 3.092477
H 1.231323 3.394084 1.977010
H -0.384950 -1.651971 -3.888264
H 1.072313 -2.690510 -3.699429
H 1.061849 -1.019579 -2.994674
H 2.665148 1.329333 -0.113409
H 4.024821 1.121661 1.086505
H -1.718661 2.811575 1.193092
H -1.067935 4.385765 1.796124
H 3.096540 -3.211852 -0.003296
H 3.431646 -3.391368 -1.712044
H 1.879966 -2.744967 -1.188241
H 1.117234 2.291735 -2.670113
H 0.493972 0.941132 -1.716761
H 1.433683 2.146004 -0.940566


%chk=000297985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297985

0 1
S 3.825098 -0.868575 -1.168195
S -0.703407 3.109485 -1.694727
O -2.427725 -1.606600 1.930233
O -0.462455 -0.549542 -0.412714
O -3.061820 -2.682925 -0.066657
O 0.030458 -2.452205 -1.856373
O 2.908962 -0.567832 0.441538
O 0.114045 3.700255 -0.081678
O 3.133045 -0.003221 -2.357162
O 5.419997 -0.727270 -0.928503
O -2.075863 2.323067 -1.307095
O -0.747067 4.372436 -2.697657
N 0.766823 1.273923 1.746344
C -1.176647 -2.085489 1.313560
C -1.599118 -2.665756 -0.072075
C -0.159743 -0.962279 0.994788
C -0.993566 -1.709516 -1.132054
C -3.538010 -1.685373 0.933725
C -0.279009 0.247615 1.930355
C -4.761684 -2.277066 1.627220
C -3.788277 -0.315206 0.287792
C 2.119811 0.895536 2.192202
C 0.347166 2.641999 2.118986
C 0.381754 -1.860814 -3.164588
C 3.158920 0.751048 1.055852
C -0.619981 3.324845 1.134281
C 3.298062 -2.687605 -1.266341
C 0.645071 1.884532 -2.208676
H -0.751079 -2.839653 1.996565
H -1.261373 -3.696228 -0.257360
H 0.868690 -1.373287 1.012174
H -1.752305 -1.322438 -1.837945
H -1.267012 0.703288 1.758052
H -0.294210 -0.143811 2.978110
H -5.102822 -1.604029 2.431871
H -4.509121 -3.257781 2.060442
H -5.582460 -2.404763 0.901074
H -4.566491 -0.406211 -0.489879
H -2.878944 0.106809 -0.171612
H -4.148453 0.394112 1.053885
H 2.525757 1.663898 2.882705
H 2.100514 -0.054019 2.766368
H -0.144201 2.670747 3.125629
H 1.248158 3.277666 2.186603
H -0.535607 -1.592480 -3.724314
H 0.923940 -2.645427 -3.716283
H 1.031713 -0.976398 -3.040851
H 3.012996 1.562111 0.318533
H 4.189258 0.776768 1.461563
H -1.477154 2.671164 0.871542
H -1.020497 4.250892 1.592013
H 3.726873 -3.165016 -0.375535
H 3.733482 -3.073307 -2.198899
H 2.195910 -2.688906 -1.270932
H 0.399633 1.570262 -3.233017
H 0.581824 1.069465 -1.473025
H 1.588735 2.441509 -2.160955


