%chk=000272498.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272498

0 1
S -0.161655 -0.072081 -1.609062
O -0.166705 -1.380265 -2.291789
O -0.184751 1.134159 -2.450655
N 2.814853 -1.118562 0.865034
N 2.814721 1.335071 0.679802
N 1.365536 -2.433082 -0.397722
N 1.340684 2.453565 -0.737300
N 4.188692 0.218539 2.240540
C -1.547155 -0.038944 -0.576846
C 1.192635 0.006524 -0.599918
C -1.845148 1.093905 0.187039
C -2.391734 -1.153077 -0.518173
C 1.793882 -1.170465 -0.061177
C 1.791817 1.248743 -0.237451
C -3.813008 -0.009950 1.080317
C -2.968649 1.112265 1.013987
C -3.517653 -1.144636 0.305392
C -5.023592 0.011283 1.952450
C 3.246890 0.141858 1.237112
H -1.201709 1.977618 0.141868
H -2.170027 -2.038455 -1.127180
H -3.191946 1.997831 1.605192
H -4.167996 -2.015960 0.343364
H -5.298809 -0.988663 2.315478
H -4.893434 0.648653 2.838027
H -5.892289 0.402665 1.399500
H 0.791380 -2.587149 -1.244742
H 1.871782 -3.233826 -0.040621
H 0.795491 2.477599 -1.618921
H 1.865901 3.292295 -0.517981
H 4.631467 1.101738 2.443434
H 4.631329 -0.623695 2.575303


%chk=000272498-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272498

0 1
S -0.161164 -0.008672 -1.682983
O -0.221211 -1.453840 -2.483152
O -0.214226 1.401779 -2.540125
N 2.932340 -1.182434 0.809301
N 2.928397 1.272869 0.758490
N 1.515926 -2.443975 -0.549579
N 1.503975 2.474310 -0.646894
N 4.329997 0.076444 2.187556
C -1.674272 0.003049 -0.540496
C 1.339710 0.014515 -0.585173
C -2.105493 1.228656 -0.008000
C -2.328736 -1.214560 -0.303324
C 1.922683 -1.210491 -0.117493
C 1.918178 1.259253 -0.167212
C -3.935404 0.009984 1.114295
C -3.241834 1.217182 0.830111
C -3.465069 -1.198542 0.536228
C -5.175940 0.019689 1.988959
C 3.353647 0.054533 1.221060
H -1.582981 2.160372 -0.245299
H -1.971822 -2.134522 -0.776449
H -3.596964 2.158991 1.264169
H -3.994507 -2.136347 0.740178
H -5.324662 -0.950249 2.494070
H -5.121073 0.805059 2.762759
H -6.081514 0.218098 1.383471
H 0.883346 -2.509814 -1.359679
H 2.000411 -3.252107 -0.163955
H 0.887291 2.501661 -1.472191
H 1.997352 3.296410 -0.303874
H 4.690649 0.971208 2.506282
H 4.693770 -0.803009 2.543248


