%chk=000270332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270332

0 1
S -1.612624 -0.567047 0.331404
S 1.425917 -0.691537 0.334030
O -1.872286 -0.821393 1.726891
O -1.492975 -1.687757 -0.597654
O 1.324605 -1.276625 1.653420
O 2.597176 0.122216 0.044740
C -0.068807 0.326357 0.131984
C -0.028994 1.385667 1.248626
C -0.036542 0.968476 -1.261363
C 1.054508 2.454504 1.049036
C 1.043586 2.049005 -1.429099
C 0.940871 3.113260 -0.330487
C -2.897362 0.515063 -0.229139
C 1.333063 -1.940991 -0.894126
C -4.073989 -0.312547 -0.719525
C 2.434145 -2.960582 -0.648519
H 0.114167 0.885357 2.237745
H -1.006931 1.904878 1.321779
H -1.016834 1.456239 -1.482151
H 0.084241 0.194271 -2.047562
H 2.068991 2.004604 1.156687
H 0.977310 3.213938 1.848927
H 0.952734 2.513650 -2.427501
H 2.061313 1.592053 -1.393965
H -0.009955 3.670021 -0.416362
H 1.748438 3.860233 -0.456554
H -3.235530 1.186557 0.588942
H -2.559397 1.205173 -1.033690
H 0.339303 -2.467878 -0.904929
H 1.420614 -1.534838 -1.920779
H -4.853290 0.324754 -1.157749
H -3.775498 -1.041222 -1.490862
H -4.547351 -0.879775 0.096103
H 2.382783 -3.777404 -1.381033
H 3.436939 -2.516200 -0.728321
H 2.350364 -3.422181 0.348655


%chk=000270332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270332

0 1
S -1.545796 -0.601513 -0.313827
S 1.671262 -0.655343 -0.125032
O -1.570340 -1.518284 1.047776
O -1.479131 -1.328244 -1.786384
O 2.326826 -0.463545 1.365131
O 2.571447 -0.295774 -1.447567
C 0.015916 0.630799 -0.189368
C -0.018446 1.354895 1.144057
C 0.127008 1.433578 -1.472736
C 1.032964 2.500497 1.194163
C 1.167903 2.581851 -1.342097
C 0.954064 3.406133 -0.053725
C -3.188378 0.482484 -0.287644
C 1.149170 -2.541263 -0.293246
C -4.336330 -0.442735 -0.677807
C 2.435775 -3.356719 -0.326492
H 0.158723 0.643081 1.971033
H -1.029914 1.793387 1.285899
H -0.865139 1.879713 -1.701703
H 0.394521 0.773841 -2.317610
H 2.038877 2.050813 1.278099
H 0.859344 3.084137 2.117390
H 1.083358 3.224080 -2.238631
H 2.180935 2.141416 -1.350414
H -0.030919 3.918934 -0.088627
H 1.723388 4.197828 0.013001
H -3.231515 0.852992 0.748094
H -3.002758 1.293221 -1.010054
H 0.506760 -2.696562 0.587354
H 0.555971 -2.554458 -1.221700
H -5.275591 0.140561 -0.707380
H -4.168066 -0.882424 -1.675656
H -4.458736 -1.259034 0.053998
H 2.163998 -4.424250 -0.431108
H 3.070347 -3.076915 -1.184460
H 3.015205 -3.238878 0.604871


