%chk=000270257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270257

0 1
S 0.238028 -2.774081 -0.155627
O 0.509071 -0.628308 1.496472
O 1.915088 -0.813995 -1.486951
O 2.382030 1.707295 -0.680427
O 3.475819 -1.382019 1.756904
O -1.154729 1.996593 0.980705
O 2.815682 -2.837907 -1.937137
O 2.951404 3.204056 0.914162
O 3.056366 -3.285133 2.902602
O -0.298059 3.640577 -0.319790
N -1.996835 -1.223886 0.492711
N -1.773569 -1.879718 -1.707326
N -3.912672 -0.876803 -2.535384
N -5.204063 0.284217 -0.813628
N -4.492991 0.544336 1.426942
C 2.762622 -0.619353 -0.331938
C 2.242796 0.675536 0.322375
C 2.573165 -1.771296 0.682299
C 0.739967 0.536488 0.634818
C 1.129555 -1.845302 1.190631
C 0.163723 1.668161 1.488289
C 2.039557 -1.970965 -2.258939
C 2.694085 2.995968 -0.247906
C -1.217397 -1.876133 -0.469333
C 3.689763 -2.264150 2.809846
C 1.133690 -1.850854 -3.421296
C 2.615697 3.911561 -1.407044
C -1.264814 3.012841 0.041823
C 4.739734 -1.691649 3.687698
C -3.119634 -0.733815 -0.193437
C -2.973068 -1.170330 -1.575706
C -2.686652 3.137991 -0.358198
C -4.282968 0.007533 0.154059
C -4.969448 -0.163055 -2.101626
H 3.814941 -0.534614 -0.677699
H 2.850376 0.927789 1.228155
H 2.933712 -2.753889 0.274194
H 0.165547 0.389842 -0.312512
H 1.031240 -2.424416 2.146490
H 0.805534 2.573385 1.507072
H -0.048879 1.336501 2.525246
H -1.694365 -0.932344 1.413381
H 0.875640 -0.804683 -3.656795
H 0.159689 -2.352922 -3.226574
H 1.565696 -2.321062 -4.316842
H 1.591700 4.345173 -1.457017
H 2.785199 3.401579 -2.368736
H 3.325791 4.746213 -1.315369
H 4.394300 -1.638097 4.733569
H 5.643527 -2.325247 3.678638
H 5.046830 -0.676760 3.381648
H -2.871435 2.639099 -1.325711
H -3.378193 2.676144 0.370104
H -2.975427 4.194208 -0.478760
H -5.750264 0.095636 -2.838270
H -4.060856 0.081096 2.211202
H -5.421946 0.907568 1.620344


%chk=000270257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270257

0 1
S -0.004789 -3.169313 0.436549
O 0.426300 -0.618470 1.758703
O 1.623257 -0.943053 -1.378169
O 2.132385 1.738692 -0.658643
O 3.484403 -1.344605 1.814384
O -1.366984 2.105907 1.077410
O 3.265730 -2.333258 -2.268110
O 3.032029 3.199273 0.931597
O 3.544425 -3.549160 2.573879
O -0.409905 3.771847 -0.250837
N -2.139676 -1.347294 0.592613
N -1.740698 -2.182856 -1.502687
N -3.663637 -1.085864 -2.627885
N -5.016357 0.342488 -1.150030
N -4.567632 0.670226 1.138288
C 2.532611 -0.626035 -0.256578
C 2.032332 0.679026 0.364289
C 2.462969 -1.749202 0.797484
C 0.553287 0.528869 0.787558
C 1.082629 -1.861438 1.475028
C -0.001469 1.739743 1.553472
C 2.125380 -1.831301 -2.363981
C 2.657438 2.987475 -0.242162
C -1.331365 -2.153606 -0.219196
C 3.988713 -2.383835 2.630045
C 1.105531 -2.030517 -3.449950
C 2.649629 3.960697 -1.388746
C -1.429327 3.170086 0.147460
C 5.102083 -1.869102 3.508177
C -3.123499 -0.800375 -0.235762
C -2.876570 -1.352700 -1.536753
C -2.852749 3.452686 -0.264533
C -4.226597 0.078300 -0.061180
C -4.698636 -0.250604 -2.349693
H 3.569071 -0.535783 -0.623861
H 2.662623 0.938778 1.234767
H 2.752699 -2.723556 0.370340
H -0.052210 0.313590 -0.110601
H 1.170889 -2.382200 2.438671
H 0.655657 2.617903 1.459152
H -0.128406 1.475458 2.614878
H -1.936304 -1.148133 1.572186
H 0.937492 -1.078230 -3.984810
H 0.132798 -2.326128 -3.012941
H 1.461869 -2.792158 -4.158024
H 1.626964 4.371031 -1.472261
H 2.895655 3.459015 -2.337566
H 3.352995 4.782276 -1.188476
H 5.253764 -2.553941 4.355229
H 6.038035 -1.821743 2.922014
H 4.882528 -0.850890 3.866447
H -3.256873 2.617201 -0.862526
H -3.499176 3.559622 0.622233
H -2.881267 4.372963 -0.865156
H -5.367595 -0.009145 -3.181125
H -3.907720 0.735537 1.909026
H -5.405430 1.250405 1.146763


