%chk=000266880.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266880

0 1
S -0.853288 -1.326241 -0.558926
O -1.085491 -0.643108 -1.824545
O -1.940016 -2.098082 0.010589
O 3.625163 2.000155 2.320553
O -5.337051 0.448161 -0.893155
O 4.179057 2.976362 0.067563
O -4.714115 0.428979 1.282216
N -0.454397 -0.136605 0.630081
C -1.585546 0.507292 1.355091
C -2.209293 1.713766 0.631036
C 0.700747 0.702221 0.416656
C 0.572180 -2.280491 -0.664596
C -3.223671 1.337291 -0.448254
C 1.554127 0.923472 1.526838
C 0.993953 1.257498 -0.828120
C 0.779939 -3.323844 0.244855
C 1.519899 -2.029483 -1.664962
C 2.695661 1.691412 1.357422
C 2.158502 2.028112 -1.002384
C -4.453091 0.699745 0.132541
C 3.006666 2.251138 0.072120
C 2.886374 -3.854671 -0.834607
C 1.930795 -4.108342 0.163979
C 2.671393 -2.809298 -1.751941
C 4.124041 -4.681524 -0.931538
C -6.597434 -0.216384 -0.569850
C 3.389761 1.487500 3.655898
C 4.536684 3.634460 -1.171792
C -7.565842 0.777903 0.038391
H -2.363864 -0.272550 1.560724
H -1.209742 0.834084 2.351733
H -1.414022 2.340908 0.177387
H -2.704098 2.356431 1.390230
H -2.770851 0.655824 -1.215941
H -3.515785 2.232715 -1.038733
H 1.300727 0.478195 2.485189
H 0.322029 1.112227 -1.681129
H 0.033417 -3.533055 1.019878
H 1.353920 -1.220037 -2.385787
H 2.370324 2.446012 -1.983320
H 2.084586 -4.917979 0.874651
H 3.405741 -2.609099 -2.529743
H 4.214326 -5.155238 -1.920927
H 4.163423 -5.487559 -0.186478
H 5.025958 -4.066805 -0.787242
H -6.906538 -0.573261 -1.569067
H -6.382601 -1.066669 0.102376
H 2.459866 1.894407 4.062742
H 3.390969 0.394025 3.650947
H 4.261220 1.880530 4.196405
H 5.469299 4.140439 -0.888172
H 3.769809 4.360144 -1.456485
H 4.715455 2.896963 -1.958769
H -8.563669 0.342434 0.160882
H -7.663116 1.676677 -0.582814
H -7.221493 1.103740 1.031806


%chk=000266880-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266880

0 1
S -0.964301 -1.081050 -0.397119
O -1.030910 -0.403571 -1.890538
O -2.262543 -1.873336 0.195362
O 4.250319 1.409554 1.676653
O -4.994073 0.392534 -1.079175
O 4.147561 3.235103 -0.238109
O -4.880378 0.573476 1.243696
N -0.455670 0.161240 0.997523
C -1.652642 0.734393 1.684233
C -2.359387 1.973300 1.081993
C 0.652945 0.993559 0.610556
C 0.520611 -2.233536 -0.391411
C -3.195702 1.697660 -0.185589
C 1.872257 0.778522 1.314122
C 0.607870 1.961820 -0.421129
C 0.590384 -3.226838 0.598981
C 1.481236 -2.080188 -1.401544
C 3.019657 1.540965 1.026313
C 1.760713 2.718837 -0.726767
C -4.421190 0.841534 0.107268
C 2.965024 2.530403 -0.011862
C 2.702087 -3.990187 -0.426438
C 1.695068 -4.105147 0.570706
C 2.579057 -2.969986 -1.405602
C 3.865421 -4.964656 -0.461946
C -6.178654 -0.509962 -0.952607
C 4.339171 0.394428 2.729325
C 4.135379 4.248472 -1.297472
C -7.475090 0.301198 -0.866488
H -2.376279 -0.092250 1.807844
H -1.282836 0.991333 2.696833
H -1.620222 2.769453 0.877725
H -3.036682 2.355702 1.869695
H -2.613394 1.207799 -0.989283
H -3.556942 2.653772 -0.614421
H 1.880160 0.003560 2.084890
H -0.302214 2.095012 -1.010708
H -0.200005 -3.318860 1.350556
H 1.361166 -1.302206 -2.162205
H 1.713781 3.455335 -1.533988
H 1.773656 -4.892794 1.329276
H 3.346899 -2.870312 -2.181283
H 3.578737 -5.898244 -0.983596
H 4.190701 -5.246811 0.554910
H 4.733619 -4.542231 -0.996113
H -6.132316 -1.124391 -1.865750
H -6.038064 -1.144182 -0.060260
H 3.630806 0.606939 3.553823
H 4.146428 -0.619630 2.327567
H 5.372368 0.459536 3.099936
H 5.151262 4.668964 -1.297225
H 3.399103 5.046915 -1.081858
H 3.916794 3.796144 -2.284217
H -8.344309 -0.382950 -0.859753
H -7.575099 0.977165 -1.733582
H -7.500341 0.899588 0.059754


