%chk=000197909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197909

0 1
S 2.187074 2.574755 0.312274
S 3.015406 -1.888359 -0.153073
S -2.188593 2.575119 -0.309408
S -3.016548 -1.888766 0.151084
O 2.135866 4.122922 -0.356406
O 2.909992 -3.172799 -1.250752
O -2.137704 4.122593 0.360866
O -2.907170 -3.174488 1.246814
O 3.537897 2.380601 0.738498
O 1.114083 2.564967 1.285073
O 4.385828 -1.807007 0.240708
O 1.984399 -2.168291 0.807551
O -3.539413 2.381064 -0.735745
O -1.115664 2.566602 -1.282275
O -4.387794 -1.809102 -0.240284
O -1.986755 -2.165714 -0.811681
N 1.684155 0.285180 -0.671010
N -1.685545 0.284577 0.671377
C 0.266334 -0.210899 -0.725526
C -0.267782 -0.211670 0.725439
C 1.790736 1.687836 -1.154779
C 2.626753 -0.635284 -1.351476
C -1.792104 1.686694 1.156723
C -2.628355 -0.636580 1.350594
H -0.374934 0.413796 -1.394071
H 0.180854 -1.241684 -1.142437
H -0.182381 -1.242902 1.141256
H 0.373502 0.412272 1.394665
H 2.528842 1.847482 -1.968182
H 0.824315 2.072128 -1.612191
H 3.560742 -0.105005 -1.660523
H 2.242096 -1.083175 -2.300012
H -2.530222 1.845443 1.970296
H -0.825678 2.070503 1.614472
H -3.562536 -0.106581 1.659608
H -2.244114 -1.085223 2.298946
H 2.150343 4.870426 0.253831
H 2.823517 -4.062795 -0.887395
H -2.152268 4.870731 -0.248586
H -2.819774 -4.063866 0.882139


%chk=000197909-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197909

0 1
S 2.349768 2.532744 0.137537
S 3.381373 -1.481536 0.259971
S -2.350140 2.533947 -0.134058
S -3.382295 -1.479840 -0.263012
O 2.034425 4.130704 -0.784853
O 2.114756 -2.919198 0.308710
O -2.036225 4.130577 0.790996
O -2.117902 -2.919227 -0.311606
O 3.944578 2.341775 0.313281
O 1.396567 2.492461 1.458956
O 4.860014 -2.136262 0.160739
O 3.026694 -0.498553 1.504468
O -3.944750 2.341958 -0.310474
O -1.396510 2.496526 -1.455321
O -4.862107 -2.132323 -0.165943
O -3.024678 -0.496579 -1.506366
N 1.354293 0.093552 -1.306530
N -1.355224 0.092528 1.306352
C 0.041859 -0.410876 -0.781929
C -0.042715 -0.411335 0.781395
C 1.524338 1.475499 -1.503398
C 2.367873 -0.807284 -1.593643
C -1.524999 1.474170 1.505514
C -2.369191 -0.808445 1.591803
H -0.752740 0.208379 -1.229902
H -0.094782 -1.438807 -1.150794
H 0.094233 -1.439424 1.149662
H 0.751636 0.207981 1.229719
H 2.300153 1.756096 -2.227556
H 0.578261 2.038436 -1.572024
H 3.233221 -0.405262 -2.134536
H 2.049484 -1.825941 -1.838550
H -2.300968 1.753788 2.229875
H -0.578856 2.036818 1.575152
H -3.234475 -0.407002 2.133218
H -2.051020 -1.827550 1.835149
H 2.404279 4.883580 -0.240347
H 2.435150 -3.592550 0.973818
H -2.407200 4.883981 0.247978
H -2.438778 -3.592006 -0.977049


