%chk=000292062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292062

0 1
S -0.588812 -3.430346 -0.742293
O 4.376178 0.806392 -0.102536
N -1.730936 -1.231219 0.167656
C -1.800198 0.190729 0.475258
C -3.046088 -1.951280 0.174687
C -0.583085 -1.840312 -0.246782
C -1.515623 1.132148 -0.522040
C 0.699876 -1.116814 -0.238732
C -1.597714 2.501112 -0.221046
C -2.170091 0.590425 1.769559
C -3.739135 -1.845465 -1.179091
C -1.970049 2.907193 1.070637
C -2.252905 1.955340 2.053464
C 1.147941 -0.428925 0.908724
C 1.523411 -1.183468 -1.374750
C -1.280202 3.508870 -1.275633
C 2.384256 0.200162 0.917203
C 2.767265 -0.548671 -1.392630
C 3.186021 0.134645 -0.243649
C 5.314729 0.767399 -1.205794
H -2.879679 -3.023175 0.446686
H -3.681032 -1.509932 0.974940
H -1.223929 0.804779 -1.519152
H -2.382166 -0.147363 2.540332
H -4.715958 -2.342758 -1.156057
H -3.898594 -0.804713 -1.482657
H -3.148618 -2.334304 -1.969160
H -2.036162 3.966710 1.309986
H -2.538328 2.280052 3.054635
H 0.520263 -0.397446 1.801861
H 1.191488 -1.739536 -2.256951
H -1.811025 3.297667 -2.215044
H -1.543876 4.533175 -0.981299
H -0.203373 3.507296 -1.506483
H 2.750624 0.732174 1.792087
H 3.389097 -0.606381 -2.279252
H 4.884046 1.249710 -2.087530
H 5.618349 -0.263674 -1.409939
H 6.153736 1.352204 -0.806117


%chk=000292062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292062

0 1
S -0.674790 -3.323174 -1.293050
O 4.524350 0.744832 0.011590
N -1.699373 -1.240836 0.153599
C -1.812709 0.176701 0.451642
C -2.963046 -2.028873 0.286524
C -0.595414 -1.799340 -0.481104
C -1.523946 1.137529 -0.545176
C 0.713130 -1.085930 -0.381734
C -1.650931 2.524050 -0.281756
C -2.264652 0.596757 1.727595
C -3.919898 -1.813221 -0.902992
C -2.101472 2.932614 0.998874
C -2.408573 1.974133 1.992522
C 1.132793 -0.439033 0.818428
C 1.619951 -1.120772 -1.471415
C -1.306290 3.541785 -1.355165
C 2.403412 0.147734 0.919225
C 2.890471 -0.515917 -1.394492
C 3.286289 0.121382 -0.190603
C 5.488626 0.717196 -1.092163
H -2.676962 -3.092302 0.351400
H -3.448967 -1.726611 1.230641
H -1.192271 0.797059 -1.532269
H -2.479413 -0.142142 2.507136
H -4.847192 -2.393822 -0.745931
H -4.193359 -0.748260 -1.009656
H -3.447260 -2.161441 -1.836725
H -2.212512 4.001018 1.217633
H -2.752800 2.302285 2.979601
H 0.470142 -0.421344 1.688530
H 1.316811 -1.646720 -2.382691
H -1.789485 3.293676 -2.317863
H -1.624298 4.558191 -1.066567
H -0.215065 3.570076 -1.537197
H 2.737708 0.625349 1.844951
H 3.557084 -0.556861 -2.260853
H 5.095472 1.243894 -1.983248
H 5.758804 -0.321576 -1.363165
H 6.375337 1.244313 -0.710974


