%chk=000266048.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266048

0 1
S 1.833961 2.788671 0.679892
O -2.768039 -1.524014 -0.818177
C -3.599489 1.122930 -0.584477
C -0.216161 -2.677388 0.149756
C -2.264944 0.632085 -0.012556
C -0.640367 -1.220473 0.349346
C -1.863595 -0.721864 -0.149499
C -1.392057 1.487879 0.658313
C 0.184762 -0.317719 1.031283
C -0.174436 1.025884 1.185529
C -4.746113 0.338423 0.083211
C -3.828814 2.626589 -0.324620
C -3.602361 0.891904 -2.108390
C 1.169958 -2.981646 0.748762
C -0.153378 -2.977250 -1.364300
C -1.247538 -3.600933 0.833488
C 0.740874 1.965161 1.892364
C 2.931985 1.502355 0.176644
C 4.206163 1.443449 0.744869
C 2.537257 0.606942 -0.819375
C 5.102945 0.463763 0.304858
C 3.438405 -0.373522 -1.249468
C 4.718305 -0.443538 -0.688831
H -1.642469 2.542782 0.779356
H 1.135764 -0.652696 1.447987
H -4.666664 -0.736079 -0.131944
H -5.721996 0.672202 -0.279301
H -4.730514 0.457523 1.170284
H -3.049005 3.241583 -0.785787
H -3.859515 2.854537 0.745230
H -4.785126 2.950837 -0.749393
H -3.509120 -0.176561 -2.346436
H -2.768230 1.409886 -2.590870
H -4.529815 1.247973 -2.564648
H 1.455022 -4.024498 0.573198
H 1.951007 -2.353948 0.301873
H 1.188135 -2.821945 1.832339
H 0.550324 -2.302597 -1.865886
H 0.177380 -4.002488 -1.556497
H -1.125648 -2.846291 -1.856568
H -0.959281 -4.653629 0.753163
H -1.337302 -3.363591 1.900327
H -2.250715 -3.499150 0.397949
H 0.194057 2.783658 2.404468
H 1.347081 1.461992 2.668981
H -2.464993 -2.477631 -0.865808
H 4.504298 2.152017 1.518252
H 1.537516 0.666045 -1.255802
H 6.100967 0.408857 0.735658
H 3.143518 -1.077617 -2.025235
H 5.419103 -1.204561 -1.028709


%chk=000266048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266048

0 1
S 1.920545 2.988987 0.670830
O -2.792832 -1.603646 -0.814997
C -3.655128 1.127446 -0.584818
C -0.193946 -2.711612 0.196793
C -2.302518 0.621155 -0.019244
C -0.644550 -1.231098 0.366855
C -1.889579 -0.743974 -0.143961
C -1.416230 1.493620 0.649987
C 0.183272 -0.297242 1.034434
C -0.179509 1.059455 1.183256
C -4.837193 0.373326 0.098618
C -3.860467 2.644891 -0.324118
C -3.704266 0.911544 -2.128919
C 1.202535 -2.965148 0.830357
C -0.051442 -3.070373 -1.319609
C -1.180027 -3.689115 0.918608
C 0.743662 2.020890 1.876786
C 2.995418 1.599605 0.110130
C 4.084443 1.175970 0.910390
C 2.745468 0.973171 -1.134077
C 4.917412 0.121878 0.468597
C 3.586107 -0.075543 -1.577185
C 4.670304 -0.504846 -0.776438
H -1.684916 2.547943 0.760291
H 1.143665 -0.621935 1.442638
H -4.777021 -0.710876 -0.081725
H -5.799014 0.744370 -0.304023
H -4.831413 0.550521 1.190487
H -3.075165 3.258598 -0.803357
H -3.883663 2.882124 0.755978
H -4.831703 2.952761 -0.752939
H -3.600278 -0.153226 -2.388266
H -2.894031 1.476947 -2.626365
H -4.670665 1.277155 -2.525628
H 1.486907 -4.021474 0.669773
H 1.983574 -2.333460 0.370310
H 1.199470 -2.782304 1.920304
H 0.717124 -2.426372 -1.783842
H 0.266377 -4.123918 -1.430435
H -0.976210 -2.938801 -1.911564
H -0.815967 -4.728802 0.821492
H -1.237904 -3.440445 1.993406
H -2.218679 -3.673215 0.535872
H 0.206227 2.842270 2.380227
H 1.406881 1.522825 2.602062
H -2.442867 -2.525821 -0.824451
H 4.281799 1.679958 1.862843
H 1.898861 1.307328 -1.741835
H 5.761773 -0.200076 1.088577
H 3.394318 -0.551746 -2.545526
H 5.322148 -1.315374 -1.121777


