%chk=000299300.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299300

0 1
S -1.782477 -2.248596 -0.810657
O 4.686449 -0.646473 -2.701050
O 4.134103 0.616714 2.069893
O 6.002048 0.189817 -0.191015
O 0.784818 1.900071 -0.008161
O -1.405672 2.147439 0.493309
O -4.062053 -1.981969 -0.639459
N -3.119304 -0.001693 -0.100833
C 0.432522 -0.941667 -0.526000
C 1.871810 -0.616235 -0.448192
C -0.617642 0.014980 -0.225115
C -1.868900 -0.568318 -0.326950
C 2.417571 -0.178747 0.763184
C 2.675107 -0.755557 -1.585076
C -0.040331 -2.175555 -0.861100
C 4.049098 -0.468213 -1.501032
C 3.787231 0.129262 0.835325
C 4.634409 -0.063384 -0.279248
C -0.484626 1.423521 0.133095
C -4.259406 -0.819494 -0.298512
C -5.583934 -0.196101 -0.053604
C 1.063892 3.270473 0.434999
C -6.565698 -0.967652 0.588072
C -5.871641 1.111337 -0.471921
C 6.009504 -0.079061 -2.884726
C 5.452320 1.193074 2.254797
C 6.760470 -0.998955 0.179069
C 1.605609 3.201597 1.847365
C -7.828763 -0.421028 0.826821
C -7.139007 1.648740 -0.233431
C -8.114716 0.885973 0.418120
H 1.790717 -0.036269 1.641464
H 2.253843 -1.063200 -2.539970
H 0.537388 -3.044277 -1.126691
H -3.154700 0.979460 0.232961
H 1.820385 3.583659 -0.307177
H 0.147548 3.881309 0.349260
H -6.338071 -1.992438 0.891555
H -5.119372 1.707219 -0.990930
H 6.100712 0.892663 -2.387687
H 6.750356 -0.784767 -2.500518
H 6.066582 0.015261 -3.975381
H 6.172716 0.386752 2.415379
H 5.740647 1.808256 1.395070
H 5.311544 1.795203 3.159568
H 7.788550 -0.625322 0.194075
H 6.626373 -1.780796 -0.573852
H 6.445637 -1.354037 1.164268
H 0.824999 2.921879 2.566753
H 2.401813 2.441783 1.930133
H 2.024911 4.162102 2.164933
H -8.591679 -1.015927 1.328471
H -7.366797 2.664250 -0.556911
H -9.101494 1.310736 0.604860


%chk=000299300-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299300

0 1
S -1.586033 -2.629058 -0.899827
O 5.135076 -1.149118 -2.436678
O 4.393222 0.480344 2.188462
O 6.236342 -0.113353 0.025879
O 0.617739 1.834168 -0.031100
O -1.658610 1.824188 0.436126
O -4.346173 -2.200301 -0.633658
N -3.031446 -0.360696 -0.104817
C 0.588379 -1.093837 -0.520429
C 2.035616 -0.756743 -0.400976
C -0.564009 -0.246132 -0.206879
C -1.795518 -0.935082 -0.341383
C 2.568102 -0.216994 0.794328
C 2.914035 -1.039647 -1.476930
C 0.199664 -2.363519 -0.910422
C 4.296986 -0.801188 -1.349835
C 3.951784 0.021616 0.931648
C 4.840559 -0.299682 -0.134589
C -0.595594 1.188515 0.105861
C -4.272966 -0.986774 -0.259496
C -5.481944 -0.152393 0.042704
C 0.655169 3.293343 0.298142
C -6.744529 -0.794799 -0.051553
C -5.426047 1.221669 0.403777
C 5.877139 -0.016889 -3.037417
C 5.277872 1.665534 2.197201
C 7.001462 -1.385218 0.079710
C 0.902261 3.502109 1.795061
C -7.930942 -0.082557 0.212874
C -6.616492 1.932143 0.667552
C -7.870510 1.284374 0.574184
H 1.922489 0.015910 1.645050
H 2.535215 -1.424625 -2.428319
H 0.846406 -3.205560 -1.151596
H -2.933330 0.627301 0.214989
H 1.489395 3.667584 -0.316165
H -0.295208 3.753085 -0.023500
H -6.762717 -1.852100 -0.335412
H -4.474026 1.759587 0.479991
H 5.167982 0.719094 -3.461995
H 6.524944 0.472205 -2.287960
H 6.483120 -0.459721 -3.842594
H 6.197808 1.474804 1.620788
H 4.744072 2.542950 1.781070
H 5.510165 1.839719 3.259070
H 8.056637 -1.089233 0.184243
H 6.850810 -1.963233 -0.849507
H 6.684421 -1.979939 0.956019
H 0.051290 3.129541 2.389587
H 1.820283 2.981964 2.119503
H 1.021876 4.581415 2.004702
H -8.899529 -0.588401 0.137923
H -6.565600 2.990705 0.944203
H -8.791698 1.840722 0.779988


