%chk=000259790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259790

0 1
S -0.089634 -3.541260 0.723177
S -0.310974 2.621084 -0.678220
S -3.614320 0.926548 -0.195933
S 3.262675 0.200834 -0.196181
O -0.262673 -2.423185 -0.562585
O -0.681388 1.025748 -1.163825
O -0.709083 -4.740485 0.239002
O -0.623922 -2.853255 1.872826
O -1.437656 3.367575 -1.185555
O 0.980665 2.826056 -1.325845
O -2.370372 1.421444 0.407815
O -4.785226 0.907450 0.654304
O 3.394019 -1.231190 0.049057
O 2.611699 0.964089 0.861990
N -3.413568 -0.716339 -0.664614
N 2.354464 0.394301 -1.633708
C -0.953278 -1.186631 -0.348034
C 0.082209 -0.064238 -0.642988
C -2.166587 -1.172844 -1.306473
C 1.134833 -0.443833 -1.710048
C 1.617741 -3.691569 0.796848
C -0.087885 2.674773 1.014635
C -3.927844 1.766336 -1.668043
C 4.799645 0.901571 -0.585667
H -1.284306 -1.103262 0.720049
H 0.558348 0.221255 0.328033
H -1.949965 -0.530686 -2.192885
H -2.316871 -2.205954 -1.706241
H 0.685519 -0.327135 -2.724527
H 1.409766 -1.524030 -1.622220
H -3.829783 -1.432506 -0.053042
H 2.131758 1.382541 -1.925265
H 2.187794 -2.793388 0.433848
H 2.015589 -3.829379 1.815433
H 2.028069 -4.519065 0.196765
H -0.883495 2.132611 1.583156
H 0.875540 2.227659 1.356935
H -0.100516 3.687724 1.442338
H -4.914573 2.253646 -1.692909
H -3.193919 2.596087 -1.844859
H -3.877635 1.151016 -2.576864
H 5.633922 0.452964 -0.021693
H 5.081324 0.791425 -1.646823
H 4.851797 1.983496 -0.376966


%chk=000259790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259790

0 1
S -0.099200 -3.145092 1.188596
S -0.073186 2.834928 -0.670648
S -3.959264 0.523054 -0.180900
S 3.362787 0.183854 -0.181052
O -0.387785 -2.470719 -0.595319
O -0.569542 1.141250 -1.347973
O -1.115804 -4.374546 1.431979
O -0.131238 -1.849188 2.165693
O -1.275269 3.759861 -1.211459
O 1.449348 3.123191 -1.173755
O -2.775605 1.014952 0.840820
O -5.424514 0.176652 0.420398
O 3.471808 -1.435862 -0.000241
O 2.770676 1.057426 1.072306
N -3.512531 -1.009687 -1.169707
N 2.440549 0.445461 -1.793946
C -0.986904 -1.130049 -0.614445
C 0.135173 -0.067578 -0.857998
C -2.125692 -1.113285 -1.679520
C 1.249320 -0.448861 -1.860471
C 1.664461 -3.781192 0.917432
C -0.130691 2.606198 1.223937
C -4.095091 1.807710 -1.571056
C 5.058682 0.878804 -0.654491
H -1.414708 -0.890351 0.380707
H 0.593933 0.125030 0.133127
H -1.958940 -0.278271 -2.380176
H -2.088320 -2.054251 -2.259596
H 0.879047 -0.375044 -2.899632
H 1.579216 -1.486511 -1.686298
H -3.809452 -1.800144 -0.565996
H 2.170941 1.464451 -1.779579
H 2.278607 -2.902041 0.653425
H 1.956349 -4.246906 1.869723
H 1.583644 -4.511364 0.100585
H -1.079726 2.072464 1.401121
H 0.780224 2.039924 1.476900
H -0.121724 3.629382 1.627327
H -4.596125 2.669631 -1.108641
H -3.071144 2.058422 -1.880261
H -4.700318 1.335607 -2.355611
H 5.702191 0.705495 0.218946
H 5.377959 0.317063 -1.541218
H 4.909759 1.948134 -0.858837


