%chk=000268678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268678

0 1
S 0.239778 0.876282 1.592771
O 4.388596 0.323319 -1.294242
O -0.374602 -0.406050 -0.660102
O 4.452421 -0.858495 0.604772
N -2.103769 0.715767 0.382628
C 1.792568 -0.025499 1.309923
C 2.445386 0.445501 0.023163
C -3.155793 0.308558 -0.584869
C -0.811017 0.265675 0.245225
C 3.823614 -0.124489 -0.119952
C -4.152994 -0.616072 0.058962
C -5.459942 -0.550840 -0.180527
H 2.434040 0.165739 2.197824
H 1.604075 -1.120151 1.285449
H 1.824357 0.143725 -0.864499
H 2.495030 1.557377 -0.041652
H -3.636940 1.231059 -0.985753
H -2.681292 -0.208329 -1.460083
H -2.420775 1.219844 1.208224
H -3.721879 -1.367397 0.724853
H -6.174440 -1.233295 0.260709
H -5.923226 0.175544 -0.833415
H 5.304405 -0.035473 -1.440810


%chk=000268678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268678

0 1
S 0.207041 0.801763 1.656368
O 4.524074 0.591889 -1.308219
O -0.346911 -0.802114 -0.540172
O 4.511308 -0.822300 0.534039
N -2.130689 0.443395 0.325771
C 1.841964 -0.047574 1.253458
C 2.540588 0.604215 0.052080
C -3.149716 -0.031010 -0.637529
C -0.823935 0.015338 0.288899
C 3.926095 0.029688 -0.170439
C -4.352804 -0.621344 0.070007
C -5.625536 -0.185184 -0.101023
H 2.441451 0.023413 2.174519
H 1.613710 -1.105149 1.051307
H 1.943257 0.451631 -0.864782
H 2.639414 1.697818 0.186985
H -3.461395 0.799913 -1.299463
H -2.646993 -0.791188 -1.263114
H -2.423730 1.096559 1.055690
H -4.140353 -1.459023 0.749561
H -6.468136 -0.656469 0.416250
H -5.861907 0.650119 -0.772659
H 5.430803 0.197915 -1.428934


