%chk=000256996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256996

0 1
S -3.374247 1.680453 -0.597491
O 3.727664 -1.302095 -0.967424
O 1.686456 -0.431362 -0.812372
O -4.742854 1.831176 -0.158300
O -2.960305 2.104062 -1.908735
O -2.384060 -4.642799 1.172883
O -0.540999 -4.321398 0.086664
N -2.477406 2.559297 0.587857
N -1.621611 -3.956051 0.512090
C 5.116162 -1.011508 -0.564472
C 5.085335 0.393077 0.081716
C 3.638703 0.795094 0.094369
C 5.538316 -2.126626 0.369032
C 2.859428 -0.294763 -0.571436
C 3.143367 1.918861 0.627146
C 1.716430 2.270035 0.612612
C -1.058787 2.607256 0.592898
C 1.029154 2.394011 -0.607874
C 1.021055 2.440893 1.820352
C -2.857730 0.039849 -0.324202
C -0.348312 2.581518 -0.624591
C -0.362472 2.609023 1.819772
C -3.718903 -0.828334 0.360507
C -1.608344 -0.400808 -0.759442
C -3.322979 -2.138521 0.627626
C -1.186604 -1.710253 -0.483469
C -2.051755 -2.561507 0.206852
H 5.671779 -1.029508 -1.525552
H 5.697282 1.111705 -0.496403
H 5.512871 0.382726 1.102770
H 4.965185 -2.121666 1.305826
H 5.354545 -3.109158 -0.093842
H 6.602969 -2.070093 0.620657
H 3.800478 2.641118 1.124096
H 1.576530 2.322648 -1.549324
H 1.558545 2.407944 2.768208
H -2.958032 2.997518 1.381151
H -0.869451 2.708066 -1.581629
H -0.899070 2.707882 2.759770
H -4.708945 -0.482251 0.686245
H -0.925228 0.256502 -1.316127
H -3.982759 -2.832327 1.160010
H -0.183999 -2.043489 -0.796825


%chk=000256996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256996

0 1
S -3.511913 1.763299 -1.013037
O 4.014988 -1.189933 -1.314797
O 1.784181 -0.574277 -1.205442
O -5.068737 1.925381 -0.570764
O -3.003891 1.923621 -2.540803
O -2.175236 -4.183957 2.058111
O -0.319131 -4.029454 0.741876
N -2.541771 3.145771 0.044705
N -1.450950 -3.587755 1.170923
C 5.319326 -0.785558 -0.671240
C 4.892118 -0.087422 0.646728
C 3.484860 0.407469 0.347188
C 6.183710 -2.031901 -0.519964
C 2.949903 -0.428551 -0.780482
C 2.803604 1.352021 1.070311
C 1.469093 1.913785 0.802382
C -1.201791 2.797688 0.339444
C 1.015561 2.206922 -0.517201
C 0.591117 2.179494 1.892648
C -2.881803 0.083475 -0.377141
C -0.285688 2.671231 -0.746893
C -0.740299 2.571445 1.668803
C -3.657608 -0.569574 0.597522
C -1.671495 -0.417897 -0.887431
C -3.187418 -1.800936 1.096077
C -1.188222 -1.637818 -0.367454
C -1.956517 -2.301520 0.612876
H 5.785193 -0.059061 -1.364229
H 5.586091 0.722285 0.927460
H 4.880765 -0.829590 1.469682
H 5.681654 -2.778752 0.119253
H 6.383555 -2.492355 -1.501978
H 7.151865 -1.765532 -0.057167
H 3.300214 1.724404 1.980203
H 1.696245 2.075895 -1.362499
H 0.936361 2.004855 2.918584
H -3.156808 3.260005 0.873026
H -0.627954 2.914678 -1.757473
H -1.427413 2.695477 2.514990
H -4.606776 -0.138488 0.931708
H -1.113906 0.110463 -1.663532
H -3.745615 -2.369548 1.843893
H -0.232056 -2.043592 -0.707266


