%chk=000286363.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286363

0 1
S -2.075018 -1.017405 -0.995146
O -0.050187 -3.048207 0.817320
O -2.785174 -0.801571 -2.235415
O -2.348312 -2.216091 -0.198895
N -0.436678 -1.164918 -1.437094
C 0.628014 -1.077233 -0.485097
C 1.602713 -0.020539 -0.613972
C 2.702367 0.024275 0.282642
C 0.783139 -2.021143 0.531095
C -2.179293 0.363095 0.021629
C 2.827402 -0.972251 1.307276
C 1.500851 0.991487 -1.620130
C 1.896500 -1.960893 1.436991
C 3.675122 1.062298 0.154374
C 2.449726 1.980384 -1.720694
C 3.553930 2.018262 -0.824657
C -2.555374 1.599060 -0.517656
C -1.895576 0.249683 1.387664
C -2.639112 2.723718 0.306668
C -1.978060 1.374962 2.212887
C -2.347422 2.610804 1.671314
H -0.136169 -1.286071 -2.408329
H 3.683583 -0.922067 1.981298
H 0.656490 0.973932 -2.307086
H 1.960713 -2.735097 2.202387
H 4.515306 1.079225 0.847844
H 2.370808 2.749814 -2.487931
H 4.292167 2.810618 -0.929535
H -2.793441 1.685296 -1.583915
H -1.614893 -0.720292 1.815784
H -2.931702 3.685937 -0.111628
H -1.754440 1.287515 3.275696
H -2.410158 3.489865 2.314894
H -0.906721 -3.086452 0.245116


%chk=000286363-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286363

0 1
S -1.407521 1.567633 1.414357
O 1.127441 -1.288309 2.453592
O -0.768808 1.958368 -0.074116
O -1.289381 -0.233389 1.749441
N 1.445236 1.128341 1.147576
C 2.110254 0.086368 0.699386
C 2.928679 0.015008 -0.542675
C 3.900659 -1.029936 -0.668760
C 2.066602 -1.139250 1.598582
C -3.248154 1.434745 1.017168
C 3.999100 -2.057213 0.367821
C 2.780574 0.959743 -1.586414
C 3.137374 -2.125185 1.439351
C 4.737133 -1.070960 -1.815831
C 3.607023 0.896547 -2.729452
C 4.596316 -0.111420 -2.839006
C -3.681340 1.926311 -0.225809
C -4.128879 0.889319 1.970678
C -5.062203 1.872973 -0.524933
C -5.507457 0.843170 1.658678
C -5.972427 1.337162 0.416345
H 1.449809 1.959486 0.521923
H 4.773049 -2.825851 0.245162
H 1.998940 1.726207 -1.523865
H 3.182923 -2.936092 2.172611
H 5.488686 -1.864311 -1.904161
H 3.475878 1.624272 -3.536988
H 5.241072 -0.152610 -3.722985
H -2.940896 2.313789 -0.934916
H -3.751160 0.482902 2.913900
H -5.423900 2.246063 -1.489263
H -6.212182 0.415951 2.380178
H -7.041851 1.299256 0.180611
H -0.349488 -0.439084 2.107513


