%chk=000280618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280618

0 1
S -1.541347 -1.187501 1.167620
O -3.831654 -2.279345 2.579832
O -4.706057 -1.555851 0.640320
N -3.752457 -4.147621 -0.335408
C -0.929501 0.229596 0.133704
C 0.585213 0.197876 0.086060
C -1.564112 0.143204 -1.233503
C -1.417890 1.384781 0.991718
C -1.743415 -2.640072 0.091470
C 1.292186 1.414417 0.072197
C 1.305926 -1.002543 0.020906
C -0.784430 0.167978 -2.399652
C -2.198018 2.422724 0.462083
C -2.962004 0.031193 -1.353364
C -1.060056 1.420263 2.352306
C -2.984732 -3.351544 0.648775
C 3.402624 0.224062 -0.037483
C 2.685014 1.429711 0.015709
C 2.702255 -0.990405 -0.037759
C -1.387186 0.073456 -3.658400
C -2.643439 3.460812 1.285919
C -3.559756 -0.063978 -2.610417
C -1.513161 2.456637 3.171677
C 4.880947 0.236309 -0.093754
C -2.774357 -0.044419 -3.768288
C -2.309767 3.477179 2.642697
C -3.934275 -2.287042 1.212670
C 5.618269 0.881860 0.911669
C 5.551987 -0.397179 -1.151821
C 7.014319 0.890423 0.857256
C 6.948206 -0.381606 -1.202006
C 7.681140 0.260488 -0.198637
H -0.848155 -3.284462 0.141004
H -1.871210 -2.343315 -0.967667
H 0.749258 2.361128 0.107659
H 0.797406 -1.965306 0.017574
H 0.300625 0.267326 -2.340248
H -2.461926 2.434616 -0.596321
H -3.597938 0.013400 -0.458512
H -0.414118 0.649682 2.779382
H -2.686299 -4.045842 1.488357
H 3.218853 2.379637 0.007302
H 3.250369 -1.931335 -0.074909
H -0.769021 0.096104 -4.554494
H -3.254205 4.258320 0.865256
H -4.643685 -0.152218 -2.684983
H -1.241076 2.469741 4.226077
H -3.242853 -0.116654 -4.747918
H -2.664007 4.282018 3.283740
H -4.168792 -3.555275 -1.052960
H -3.159236 -4.831246 -0.795028
H 5.100264 1.368965 1.736488
H 4.982848 -0.894134 -1.935509
H 7.583982 1.388944 1.639985
H 7.466341 -0.870829 -2.025228
H 8.768519 0.269906 -0.239312
H -4.397416 -1.579434 3.005167


%chk=000280618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280618

0 1
S -1.679137 -1.204694 1.328212
O -4.799156 -2.950940 2.065989
O -4.962352 -2.328742 -0.165645
N -3.217057 -4.731118 -0.326401
C -0.965833 0.328330 0.279258
C 0.574952 0.264788 0.221280
C -1.607939 0.303076 -1.116950
C -1.403629 1.533812 1.142919
C -1.895402 -2.621420 0.080432
C 1.310776 1.466902 0.040302
C 1.305198 -0.946860 0.272700
C -0.827910 0.341176 -2.301175
C -2.142798 2.624157 0.622206
C -3.023450 0.240974 -1.246678
C -0.992784 1.583945 2.503643
C -2.983722 -3.608038 0.592340
C 3.448753 0.238911 -0.028186
C 2.713904 1.454611 -0.081289
C 2.709956 -0.960955 0.153249
C -1.443159 0.326848 -3.575461
C -2.480236 3.725804 1.443382
C -3.637347 0.219492 -2.514744
C -1.336231 2.676315 3.325086
C 4.934676 0.223545 -0.149460
C -2.849095 0.267729 -3.689745
C -2.085242 3.755772 2.798302
C -4.325473 -2.884072 0.757596
C 5.721888 1.301256 0.343466
C 5.607466 -0.870425 -0.761825
C 7.128167 1.287054 0.227382
C 7.013684 -0.887469 -0.876847
C 7.782731 0.192054 -0.383233
H -0.945306 -3.167716 -0.050493
H -2.212798 -2.185987 -0.881920
H 0.777598 2.422437 -0.006598
H 0.774248 -1.886007 0.450584
H 0.263040 0.385068 -2.234746
H -2.453806 2.621794 -0.426514
H -3.641729 0.171666 -0.345608
H -0.398311 0.759922 2.914970
H -2.694671 -4.013445 1.576078
H 3.242403 2.400255 -0.246826
H 3.242699 -1.914712 0.240768
H -0.818741 0.358708 -4.475619
H -3.050561 4.559950 1.018962
H -4.728116 0.148689 -2.581303
H -1.016677 2.689097 4.373220
H -3.324599 0.249047 -4.676885
H -2.350550 4.607963 3.434070
H -3.534721 -4.467784 -1.262249
H -2.531278 -5.486072 -0.299175
H 5.231649 2.141135 0.848714
H 5.023160 -1.699412 -1.177334
H 7.713844 2.124878 0.622301
H 7.508852 -1.737536 -1.359755
H 8.874627 0.179993 -0.472552
H -5.675456 -2.480150 2.126804


