%chk=000220433.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220433

0 1
S -0.265674 -0.636950 0.605984
O 3.210937 1.655905 0.045462
O -0.202179 -1.222748 1.935660
O 0.280421 -1.389324 -0.516573
N 0.586566 0.859079 0.700217
N -5.762122 1.045133 -0.739158
C 3.093754 0.659966 1.097774
C 3.290900 -0.749857 0.533619
C 4.640123 -0.847316 -0.188550
C 4.736864 0.239598 -1.267366
C 1.691728 0.939891 1.683719
C 4.468968 1.618404 -0.660266
C -1.861407 -0.152603 0.223210
C -2.400586 -0.451273 -1.037859
C -2.642643 0.529067 1.167988
C -3.697151 -0.080165 -1.363776
C -3.943296 0.914021 0.871421
C -4.481031 0.614449 -0.406364
H 3.872376 0.888074 1.861286
H 2.477753 -1.005886 -0.184738
H 3.219183 -1.502083 1.340069
H 4.746973 -1.848399 -0.648156
H 5.473140 -0.749330 0.532455
H 5.727787 0.220559 -1.754445
H 3.993189 0.033971 -2.063736
H 1.685064 1.981947 2.089037
H 1.500569 0.259192 2.548039
H 5.268169 1.925648 0.036407
H 4.317391 2.398010 -1.428263
H 0.883860 1.292342 -0.191386
H -1.788557 -0.991162 -1.773584
H -2.226417 0.757760 2.155792
H -4.103149 -0.313212 -2.343282
H -4.537785 1.445081 1.608312
H -6.380665 1.383054 -0.022256
H -6.210655 0.694553 -1.567795


%chk=000220433-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220433

0 1
S -0.214375 -0.611895 0.463040
O 3.240828 1.650706 -0.103217
O -0.110958 -1.304548 1.938811
O 0.306893 -1.407693 -0.872358
N 0.628821 1.061629 0.670336
N -5.968438 0.942345 -0.609132
C 3.128736 0.743608 1.066673
C 3.371204 -0.723220 0.655601
C 4.745628 -0.868035 -0.042371
C 4.839837 0.107396 -1.239573
C 1.738706 1.049584 1.658675
C 4.551504 1.545365 -0.771798
C -1.977469 -0.109644 0.136576
C -2.485953 -0.272862 -1.164102
C -2.754874 0.385761 1.199452
C -3.824243 0.078962 -1.412411
C -4.091381 0.736653 0.947094
C -4.645619 0.592948 -0.363218
H 3.899632 1.039348 1.817565
H 2.573389 -1.059479 -0.034533
H 3.317521 -1.364500 1.556203
H 4.892153 -1.910610 -0.378923
H 5.558983 -0.643053 0.679744
H 5.844196 0.068713 -1.705180
H 4.100248 -0.180526 -2.011198
H 1.749047 2.063526 2.101434
H 1.485308 0.326546 2.457387
H 5.344936 1.883346 -0.067308
H 4.497681 2.254779 -1.614814
H 0.983583 1.327960 -0.272085
H -1.846864 -0.685333 -1.951648
H -2.327000 0.482863 2.201974
H -4.240760 -0.045073 -2.418623
H -4.714702 1.123038 1.761703
H -6.561068 1.300505 0.134228
H -6.372732 0.836287 -1.535103


