%chk=000232007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232007

0 1
S 7.269384 -0.113986 -1.406053
S -6.853219 0.035791 -1.834402
O 6.925795 -0.869068 -2.594930
O 8.138332 1.043737 -1.482496
O -7.210733 1.285721 -2.478538
O -6.793421 -1.199537 -2.591723
O 9.908923 -3.364969 0.773396
O -10.707147 -0.408804 0.911083
O 0.959943 -0.274631 1.178616
O -1.808721 2.802895 1.840363
N 8.008940 -1.223174 -0.315079
N -8.005530 -0.214006 -0.576845
N 2.344660 1.548667 1.489293
N -1.731111 0.600771 1.127140
C 5.828227 0.345823 -0.572121
C -5.371312 0.224899 -0.975000
C 3.501633 1.101916 0.773284
C -2.967062 0.523679 0.416531
C 4.724513 -0.511572 -0.542988
C -5.061720 1.442617 -0.360376
C 5.762976 1.591245 0.064617
C -4.466906 -0.842668 -0.903552
C 8.439404 -2.534049 -0.868504
C -9.220241 0.641828 -0.585299
C 3.558020 -0.145004 0.129488
C -3.866185 1.601751 0.339097
C 4.608962 1.979701 0.739827
C -3.266692 -0.706835 -0.213026
C 0.102346 1.530435 2.495472
C 1.147954 0.830779 1.653290
C -1.232824 1.738000 1.785037
C 8.567829 -3.552107 0.272555
C -9.803649 0.714825 0.832418
H 8.726336 -0.850014 0.325618
H -8.251222 -1.188794 -0.348034
H 4.763742 -1.479049 -1.057323
H -5.756474 2.287556 -0.431831
H 6.624739 2.271864 0.025927
H -4.701306 -1.792431 -1.402995
H 9.423207 -2.463410 -1.394768
H 7.695110 -2.890280 -1.620484
H -10.007063 0.245368 -1.273377
H -8.960978 1.665463 -0.947950
H 2.698541 -0.824516 0.145196
H -3.632418 2.560495 0.815186
H 4.572080 2.951627 1.226582
H -2.569762 -1.541813 -0.169150
H 0.426987 2.523252 2.883051
H -0.071888 0.923968 3.418349
H 2.408143 2.490951 1.889965
H -1.129593 -0.245255 1.088132
H 8.473909 -4.588557 -0.098188
H 7.843049 -3.372762 1.086180
H -10.389569 1.639511 0.981749
H -9.030557 0.625048 1.615423
H 10.048706 -3.900862 1.575679
H -10.994289 -0.548831 1.831688


%chk=000232007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232007

0 1
S 7.440731 -0.392391 -1.337896
S -7.064444 0.254771 -1.736405
O 7.011964 -1.124151 -2.727901
O 8.485578 0.862821 -1.317151
O -7.558711 1.656065 -2.403960
O -6.881043 -1.093031 -2.641807
O 9.973177 -3.249674 1.063545
O -10.366062 -1.232518 1.019812
O 0.797025 0.025106 1.003834
O -1.862306 3.247460 2.006727
N 7.996792 -1.779059 -0.223212
N -8.228647 -0.007322 -0.303841
N 2.427025 1.650849 1.448922
N -1.734084 1.085134 1.070265
C 5.883844 0.188225 -0.453495
C -5.441763 0.531184 -0.830792
C 3.570103 1.111276 0.788778
C -2.999102 0.948011 0.443673
C 4.709425 -0.570628 -0.570559
C -5.226425 1.753390 -0.174771
C 5.947975 1.399838 0.252784
C -4.480529 -0.491350 -0.885917
C 8.748926 -2.840917 -0.952074
C -9.639032 0.345670 -0.628891
C 3.535059 -0.107986 0.057456
C -3.992870 1.967842 0.472206
C 4.774991 1.860572 0.878833
C -3.249004 -0.274345 -0.241122
C 0.172050 1.956487 2.381635
C 1.148405 1.125834 1.545564
C -1.243364 2.167290 1.779860
C 9.096795 -3.914430 0.080184
C -10.440982 0.197928 0.664260
H 8.591180 -1.352548 0.515219
H -8.149563 -1.003905 -0.022215
H 4.702433 -1.495779 -1.154884
H -5.997971 2.529246 -0.179233
H 6.881890 1.969917 0.285060
H -4.689500 -1.413810 -1.436993
H 9.682748 -2.472026 -1.422554
H 8.097050 -3.257551 -1.737410
H -10.086171 -0.302144 -1.410318
H -9.662680 1.391442 -0.978639
H 2.602672 -0.669131 -0.012370
H -3.786612 2.904958 0.991634
H 4.796502 2.806601 1.433655
H -2.475871 -1.050745 -0.270996
H 0.556038 2.964184 2.610451
H 0.033237 1.432943 3.349276
H 2.578173 2.549440 1.914170
H -1.053194 0.311054 0.949514
H 9.621663 -4.750384 -0.426423
H 8.171411 -4.290007 0.561347
H -11.490064 0.510679 0.482024
H -9.993607 0.829943 1.457547
H 10.226667 -3.882756 1.779354
H -10.827129 -1.394372 1.879442


