%chk=000283219.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283219

0 1
S 0.016863 -0.524409 1.149071
O 2.886313 0.349261 2.085037
O -1.358253 0.800872 -0.941672
O 0.543304 -0.784650 2.530372
C 2.620054 0.246216 0.681343
C -2.282079 0.504795 0.143490
C 1.169181 0.691874 0.434745
C -1.443663 0.552936 1.416611
C 2.915711 -1.178369 0.216277
C 3.580852 1.235494 0.020239
C -2.818640 -0.893153 -0.140169
C -3.424253 1.514922 0.105850
C 3.833259 -1.942758 0.952254
C 3.695738 1.289984 -1.375870
C -3.729706 -1.475185 0.754009
C -3.979953 1.839969 -1.142552
C 2.327825 -1.723624 -0.932557
C 4.343351 2.103262 0.813813
C -2.426532 -1.590915 -1.289373
C -3.945869 2.097774 1.266211
C 4.150407 -3.242239 0.550089
C 4.563417 2.210008 -1.970867
C -4.233354 -2.753527 0.502219
C -5.031844 2.753323 -1.228512
C 2.648041 -3.024506 -1.334057
C 5.211265 3.020592 0.215289
C -2.933858 -2.870005 -1.537165
C -5.001869 3.011855 1.177368
C 3.557512 -3.785942 -0.594099
C 5.321322 3.077314 -1.177442
C -3.835258 -3.453410 -0.642171
C -5.543561 3.343420 -0.067186
H 0.939937 0.788661 -0.642930
H 1.040708 1.700445 0.868618
H -1.991305 0.159948 2.294820
H -1.159516 1.581838 1.688701
H 2.236979 -0.213561 2.629122
H -1.281399 1.767838 -1.077321
H 4.294492 -1.509829 1.844414
H 3.122384 0.609471 -2.002467
H -4.051544 -0.931830 1.641217
H -3.590127 1.364528 -2.045051
H 1.618771 -1.145089 -1.521698
H 4.256126 2.049613 1.903467
H -1.723442 -1.131651 -1.987727
H -3.542841 1.847450 2.246694
H 4.859923 -3.830743 1.129111
H 4.652445 2.247137 -3.054647
H -4.937390 -3.205655 1.199150
H -5.458097 3.002148 -2.199493
H 2.186173 -3.444480 -2.225143
H 5.803447 3.689659 0.836809
H -2.623901 -3.411687 -2.429308
H -5.402477 3.464103 2.083819
H 3.803634 -4.798446 -0.907145
H 5.997428 3.791272 -1.642768
H -4.227482 -4.450600 -0.834436
H -6.364652 4.055781 -0.133703


%chk=000283219-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283219

0 1
S -0.005750 -0.758332 0.990364
O 2.814270 0.318435 2.120359
O -1.535271 0.857571 -1.165968
O 0.540861 -0.908820 2.597776
C 2.719978 0.143661 0.670860
C -2.402340 0.512410 -0.000578
C 1.273862 0.510368 0.234769
C -1.499403 0.445508 1.247071
C 3.131665 -1.289208 0.262263
C 3.643151 1.204268 0.021034
C -3.014098 -0.871236 -0.301335
C -3.505691 1.583468 0.131382
C 4.122241 -1.945215 1.035615
C 4.008734 1.125837 -1.346605
C -3.942461 -1.429957 0.612884
C -4.295608 1.864697 -1.016041
C 2.594459 -1.956684 -0.867497
C 4.090458 2.302449 0.795482
C -2.663118 -1.597415 -1.463043
C -3.762519 2.291101 1.331081
C 4.567203 -3.237322 0.686854
C 4.804906 2.134490 -1.932593
C -4.505449 -2.701242 0.373536
C -5.311410 2.840690 -0.965845
C 3.034289 -3.255304 -1.213686
C 4.893482 3.307081 0.209463
C -3.230776 -2.870032 -1.703424
C -4.785447 3.266879 1.382114
C 4.024441 -3.899525 -0.440102
C 5.249351 3.230750 -1.156783
C -4.149726 -3.427902 -0.786978
C -5.560024 3.547225 0.235655
H 1.085479 0.482824 -0.847351
H 1.015380 1.493251 0.658951
H -1.991457 -0.000160 2.126739
H -1.052787 1.416928 1.517160
H 2.019532 -0.195758 2.527641
H -1.432682 1.842913 -1.191431
H 4.516260 -1.429150 1.916360
H 3.697453 0.265470 -1.949633
H -4.244228 -0.866207 1.504383
H -4.112472 1.303777 -1.939044
H 1.823897 -1.482040 -1.486708
H 3.814902 2.333284 1.852991
H -1.954364 -1.158713 -2.169963
H -3.176589 2.090946 2.234475
H 5.332091 -3.732103 1.296211
H 5.086711 2.060055 -2.989168
H -5.222033 -3.122051 1.087433
H -5.913086 3.047342 -1.857798
H 2.600845 -3.761776 -2.083699
H 5.243226 4.147630 0.820052
H -2.951583 -3.425890 -2.605607
H -4.974680 3.805849 2.316954
H 4.365265 -4.906224 -0.707147
H 5.871650 4.010644 -1.610509
H -4.585557 -4.415584 -0.973744
H -6.351435 4.303550 0.277068


