%chk=000251939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251939

0 1
S -0.318576 2.205319 0.829006
S 2.036959 1.222359 -0.805499
O 5.381571 -1.582602 0.866842
O -4.939758 -2.291091 -0.901993
O -6.179484 -0.542619 -0.613921
N 4.374622 -0.203546 -0.707209
N 2.952360 -0.054970 1.287228
N -5.100298 -1.113622 -0.621550
C -1.660219 1.158873 0.388051
C -1.516086 -0.194247 0.070360
C -2.918015 1.781662 0.384491
C -3.904676 -0.324256 -0.268283
C 1.101683 1.261990 0.669624
C -2.644988 -0.944158 -0.261427
C -4.047527 1.037017 0.055344
C 3.265714 0.201766 0.018553
C 1.737776 0.541545 1.648014
C 5.418568 -1.084751 -0.223610
C 6.497614 -1.279216 -1.247229
H -0.535807 -0.674956 0.078030
H -3.022111 2.839668 0.634974
H -2.559964 -2.007080 -0.514875
H -5.042804 1.495795 0.044033
H 1.394660 0.389666 2.674004
H 4.451042 0.161369 -1.662731
H 6.131308 -1.749606 -2.170581
H 7.277694 -1.949423 -0.841864
H 7.002439 -0.341387 -1.519183


%chk=000251939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251939

0 1
S -0.371092 2.381728 1.058181
S 1.918963 1.269211 -0.845162
O 4.884942 -2.029219 0.555038
O -4.682681 -2.525468 -0.962708
O -6.104330 -0.742797 -0.849597
N 4.374804 -0.096477 -0.695930
N 3.123749 0.274749 1.350788
N -4.933581 -1.278649 -0.731067
C -1.695312 1.224769 0.493952
C -1.460417 -0.147043 0.241502
C -2.993594 1.777385 0.348433
C -3.813787 -0.412012 -0.304979
C 1.128688 1.430508 0.790911
C -2.525061 -0.973197 -0.163808
C -4.062824 0.955780 -0.050079
C 3.301654 0.392182 0.047026
C 1.918690 0.836992 1.766607
C 5.149301 -1.258905 -0.393712
C 6.337749 -1.439577 -1.333848
H -0.458048 -0.567629 0.365875
H -3.167093 2.841639 0.539505
H -2.376698 -2.037105 -0.366464
H -5.074500 1.350993 -0.171774
H 1.657422 0.807832 2.824985
H 4.605066 0.398069 -1.560429
H 6.144000 -1.072303 -2.357468
H 6.596550 -2.508022 -1.376092
H 7.211136 -0.893934 -0.931085


