%chk=000248337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248337

0 1
S -2.122109 -0.711794 0.390238
O 1.431139 2.343548 -1.283776
N 0.493524 -1.225683 0.438699
N -0.165750 0.892945 -0.495793
C -4.524332 0.472234 0.143873
C -5.182258 -0.603021 -0.733335
C -3.070962 0.726631 -0.215126
C 1.867157 -0.952726 0.212244
C 2.230099 0.275942 -0.384147
C -0.448501 -0.254157 0.056682
C -6.664354 -0.761261 -0.403666
C 2.850570 -1.897879 0.579067
C 1.193937 1.275039 -0.771691
C 3.592251 0.546285 -0.608933
C 4.187571 -1.599880 0.343295
C 4.563421 -0.381158 -0.249551
H -4.634010 0.207945 1.216320
H -5.083752 1.428140 0.032495
H -5.062709 -0.340967 -1.803725
H -4.666889 -1.575494 -0.604572
H -2.911181 0.849724 -1.305569
H -2.679287 1.654108 0.253468
H 0.215441 -2.106518 0.868197
H -7.127417 -1.532534 -1.030502
H -7.219834 0.169031 -0.569791
H -6.819432 -1.054177 0.641082
H 2.568826 -2.841857 1.037606
H 3.865386 1.501051 -1.071740
H 4.958726 -2.320891 0.621572
H 5.616329 -0.168330 -0.425120


%chk=000248337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248337

0 1
S -2.073047 -1.386480 -1.373269
O 1.046337 2.558532 -0.468901
N 0.479843 -1.501785 -0.485262
N -0.346483 0.712280 -0.860626
C -4.114499 0.443247 -0.526991
C -5.204217 -0.636464 -0.349278
C -3.127830 0.172284 -1.670755
C 1.750105 -1.047288 -0.080687
C 1.979564 0.360218 -0.064281
C -0.501058 -0.592217 -0.857124
C -6.190319 -0.299018 0.789503
C 2.770904 -1.954495 0.300903
C 0.891218 1.305346 -0.469159
C 3.248964 0.842504 0.340280
C 4.022525 -1.449998 0.698779
C 4.266884 -0.050639 0.720077
H -3.551778 0.576858 0.416817
H -4.600395 1.419154 -0.740845
H -5.760285 -0.754570 -1.301952
H -4.718482 -1.611623 -0.144007
H -3.631696 -0.009907 -2.634872
H -2.377836 0.977977 -1.768475
H 0.279652 -2.504577 -0.501446
H -6.963072 -1.081541 0.899802
H -6.706434 0.660758 0.597902
H -5.661518 -0.207139 1.756783
H 2.585436 -3.034913 0.285289
H 3.399203 1.927092 0.343504
H 4.814284 -2.146873 0.994317
H 5.245630 0.327574 1.031775


