%chk=000295262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295262

0 1
S 6.672567 -0.236228 0.554186
O -3.706697 2.010889 -0.094215
O -0.045504 -1.222246 -0.143678
N -1.496315 0.591112 -0.075412
N 0.834269 0.917368 0.120421
C -2.726777 -0.119958 -0.232572
C 2.220771 0.581344 0.199393
C -3.932217 0.651540 -0.242707
C -2.821362 -1.505693 -0.375849
C 3.127364 1.658170 0.328002
C 2.688714 -0.744364 0.156848
C -0.224428 -0.022613 -0.042289
C 4.953069 0.077229 0.367383
C -5.175436 0.046596 -0.391008
C 4.494851 1.396213 0.409743
C 4.058880 -0.989562 0.244440
C -4.077352 -2.112577 -0.525337
C -5.240434 -1.348748 -0.533095
C -4.861338 2.883323 -0.075570
C 7.218137 -0.484150 -1.154594
H -1.592161 1.606519 0.021959
H 0.615560 1.912834 0.186217
H -1.914853 -2.124266 -0.371533
H 2.774695 2.685044 0.364192
H 1.986786 -1.580338 0.058262
H -6.090593 0.630505 -0.398948
H 5.199199 2.224791 0.508981
H 4.423645 -2.018925 0.219446
H -4.130990 -3.194994 -0.635618
H -6.211412 -1.827707 -0.649484
H -5.508046 2.637863 0.772210
H -5.395670 2.824279 -1.028557
H -4.395973 3.868622 0.055483
H 7.047459 0.406279 -1.767933
H 6.712563 -1.334951 -1.622519
H 8.295828 -0.690002 -1.131849


%chk=000295262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295262

0 1
S 6.826941 -0.029661 0.611213
O -3.561781 1.997124 -0.084836
O -0.055218 -1.465643 -0.128458
N -1.504407 0.393882 -0.099764
N 0.790297 0.730596 0.080706
C -2.761461 -0.241258 -0.249779
C 2.185190 0.487437 0.186626
C -3.895232 0.631034 -0.244234
C -2.967016 -1.632368 -0.401729
C 3.036124 1.623603 0.283401
C 2.756650 -0.814715 0.210315
C -0.244984 -0.216326 -0.055198
C 5.002512 0.172790 0.416735
C -5.200906 0.127483 -0.387684
C 4.431533 1.467053 0.394862
C 4.154709 -0.956067 0.331304
C -4.281233 -2.135543 -0.545800
C -5.393074 -1.267951 -0.539839
C -4.657187 2.966203 -0.049878
C 7.305066 -0.339527 -1.196160
H -1.584774 1.411587 -0.006385
H 0.525459 1.717819 0.099628
H -2.099806 -2.294621 -0.402116
H 2.606330 2.634050 0.270816
H 2.104787 -1.686676 0.140312
H -6.064043 0.799652 -0.383144
H 5.079490 2.346323 0.468547
H 4.591147 -1.960069 0.369964
H -4.428477 -3.214354 -0.662156
H -6.407679 -1.664312 -0.651580
H -5.342186 2.760255 0.794646
H -5.223884 2.960203 -1.000565
H -4.177660 3.946222 0.090614
H 7.055172 0.540265 -1.808411
H 6.782853 -1.231546 -1.574255
H 8.393547 -0.509747 -1.203322


