%chk=000233305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233305

0 1
S 0.346241 3.859654 0.543057
S -3.567035 -1.475556 -0.570172
S -0.345766 -3.841089 0.582622
S 3.576760 1.482255 -0.553964
O -0.287076 2.381051 0.012925
O -2.350549 -0.425151 -0.036081
O 0.292852 -2.368230 0.042941
O 2.355454 0.438212 -0.018446
O 1.526503 3.517915 1.320876
O -0.716061 4.561290 1.203632
O -2.880252 -2.506153 -1.332464
O -4.547109 -0.676778 -1.247287
O -1.532768 -3.490799 1.346300
O 0.710348 -4.536310 1.259649
O 2.896959 2.504737 -1.333205
O 4.561917 0.675728 -1.214354
C 0.002420 0.006161 0.000328
C -0.202708 1.250162 0.898694
C -1.235436 -0.177279 -0.911120
C 0.198729 -1.227404 0.914894
C 1.249021 0.179017 -0.901199
C 0.734771 4.546365 -0.980285
C -4.122119 -2.039261 0.952045
C -0.721278 -4.543453 -0.936824
C 4.119515 2.062133 0.966654
H -1.173455 1.197501 1.431566
H 0.640949 1.371152 1.606290
H -1.091311 -1.025412 -1.609001
H -1.467967 0.759826 -1.455837
H 1.163792 -1.168187 1.457223
H -0.652158 -1.340839 1.615068
H 1.487154 -0.764690 -1.432018
H 1.111326 1.018435 -1.610753
H 1.613840 4.040924 -1.464226
H -0.069133 4.460403 -1.729436
H 0.999956 5.612500 -0.948320
H -4.288757 -1.240374 1.692909
H -5.059620 -2.611755 0.914826
H -3.382084 -2.722796 1.449601
H -0.987609 -5.609027 -0.896052
H -1.595649 -4.042665 -1.433922
H 0.089342 -4.466015 -1.679639
H 3.375459 2.750953 1.450716
H 4.279899 1.271165 1.717336
H 5.057391 2.634081 0.930956


%chk=000233305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233305

0 1
S 0.363430 4.009892 0.776138
S -3.703144 -1.531965 -0.806514
S -0.364039 -3.988513 0.818206
S 3.713781 1.534578 -0.789284
O -0.318658 2.420642 0.037475
O -2.399284 -0.403330 -0.054695
O 0.324271 -2.406213 0.070422
O 2.401340 0.418259 -0.034451
O 1.736229 3.640116 1.567002
O -0.794071 4.807733 1.565668
O -2.928425 -2.729771 -1.588410
O -4.801868 -0.666703 -1.608993
O -1.745288 -3.612234 1.591205
O 0.786072 -4.777110 1.627500
O 2.948584 2.725339 -1.590989
O 4.816103 0.657131 -1.573497
C 0.000857 0.006748 0.006430
C -0.198314 1.244920 0.922649
C -1.228767 -0.174768 -0.924715
C 0.190249 -1.220151 0.939683
C 1.240194 0.177490 -0.913833
C 0.730190 4.810584 -0.899771
C -4.376927 -2.121480 0.861340
C -0.712907 -4.806569 -0.853260
C 4.376664 2.141370 0.876802
H -1.126746 1.136988 1.510440
H 0.679115 1.363089 1.587946
H -1.072288 -1.050449 -1.584280
H -1.392652 0.740942 -1.519470
H 1.110881 -1.103420 1.537959
H -0.695483 -1.331828 1.595011
H 1.411064 -0.745419 -1.495356
H 1.089870 1.044709 -1.585905
H 1.511572 4.179175 -1.350932
H -0.221211 4.790886 -1.447857
H 1.065666 5.832142 -0.672334
H -4.652489 -1.208068 1.405085
H -5.246311 -2.750270 0.623374
H -3.544433 -2.675201 1.323089
H -1.048950 -5.826390 -0.618963
H -1.490734 -4.181020 -1.318500
H 0.243866 -4.790738 -1.392062
H 3.541675 2.700628 1.327179
H 4.647961 1.233587 1.431973
H 5.248054 2.767059 0.637998


