%chk=000257210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257210

0 1
S -1.425429 0.754462 -0.525630
O 1.757260 2.834103 0.182147
O 0.454336 2.407043 -1.589515
O -1.467522 -2.006803 1.725168
N -2.128593 -2.406899 -0.409653
C 0.000363 1.248187 0.532249
C 0.894474 0.055387 0.877141
C 1.457370 -0.690801 -0.337415
C 2.293867 -1.917826 0.092792
C -0.465248 1.976471 1.797104
C 0.705279 2.191712 -0.428811
C 1.394459 -3.076947 0.536423
C 3.208652 -2.359297 -1.058144
C -1.307756 3.217867 1.531611
C -2.511607 -0.175131 0.574258
C -1.975294 -1.576831 0.700132
H 1.739936 0.416074 1.504892
H 0.336791 -0.657488 1.529469
H 2.086427 -0.008532 -0.941704
H 0.643435 -1.017011 -1.013159
H 2.940890 -1.623620 0.956919
H -1.021680 1.269498 2.449406
H 0.435580 2.269842 2.384650
H 0.647528 -2.751181 1.277823
H 1.978548 -3.879461 0.998128
H 0.847971 -3.512448 -0.304472
H 2.637033 -2.611322 -1.957567
H 3.921508 -1.574005 -1.330025
H 3.788725 -3.246781 -0.782440
H -2.212270 2.998818 0.949864
H -0.747024 3.982511 0.978801
H -1.631676 3.677496 2.473663
H -3.534996 -0.142818 0.145661
H -2.592696 0.294846 1.578902
H 2.237622 3.448722 -0.435977
H -1.684092 -3.315004 -0.398841
H -2.341573 -2.041433 -1.323550


%chk=000257210-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257210

0 1
S -1.580412 0.797283 -0.686516
O 1.866726 2.677803 0.296063
O 0.602924 2.458453 -1.632489
O -2.894992 -2.067437 1.916589
N -1.950028 -2.274858 -0.204671
C -0.053228 1.219491 0.441212
C 0.788311 -0.049846 0.782256
C 1.513905 -0.722176 -0.403181
C 2.440547 -1.896048 0.017140
C -0.486490 1.936924 1.752517
C 0.780405 2.164242 -0.433170
C 1.658490 -3.094054 0.608292
C 3.299314 -2.355349 -1.185400
C -1.324017 3.217254 1.569071
C -2.740169 -0.057186 0.542219
C -2.514546 -1.551245 0.823136
H 1.545783 0.260857 1.530880
H 0.116794 -0.769579 1.285683
H 2.136297 0.031694 -0.926916
H 0.775044 -1.082423 -1.147174
H 3.128700 -1.515529 0.803145
H -1.027531 1.207412 2.385324
H 0.445296 2.182686 2.296693
H 1.065672 -2.813324 1.497001
H 2.350211 -3.902741 0.908500
H 0.962445 -3.510432 -0.146391
H 2.657327 -2.733129 -2.004849
H 3.906156 -1.523558 -1.589599
H 3.988614 -3.170106 -0.895737
H -2.254842 3.019121 1.009578
H -0.760610 3.989612 1.014133
H -1.591809 3.640536 2.553764
H -3.737750 0.059912 0.080202
H -2.756427 0.481098 1.500567
H 2.404995 3.265795 -0.300459
H -1.816931 -3.278725 -0.089652
H -1.583577 -1.791028 -1.027463


