%chk=000214689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214689

0 1
S 1.327762 -0.150841 -0.894116
O 1.694618 -1.479298 -1.293757
O 1.716527 0.991164 -1.670987
N -0.331058 -0.084495 -0.557326
N -2.976595 0.109414 0.555979
N 2.022022 0.086127 0.702073
N 3.193639 0.125289 1.079041
N 4.213249 0.184827 1.570702
C -0.879716 1.239797 -0.135387
C -0.901804 -1.212540 0.239255
C -2.414931 1.217182 -0.286216
C -2.436789 -1.208961 0.084390
C -4.468042 0.113781 0.496619
H -0.452448 2.036026 -0.788367
H -0.611586 1.478383 0.920663
H -0.635144 -1.129634 1.319101
H -0.490408 -2.174800 -0.145087
H -2.829056 2.180687 0.082707
H -2.686705 1.129829 -1.360925
H -2.709836 -1.441631 -0.968133
H -2.866833 -2.010960 0.722981
H -4.855174 -0.676250 1.161020
H -4.896577 -0.035415 -0.505370
H -4.839413 1.072818 0.893839


%chk=000214689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214689

0 1
S 1.407029 -0.336195 -0.893301
O 1.691529 -1.831561 -1.433678
O 1.901023 0.969847 -1.713409
N -0.413597 -0.185394 -0.591752
N -3.002944 0.090518 0.446955
N 2.092884 -0.193193 1.164556
N 3.174015 0.462133 1.228111
N 4.193227 1.074583 1.362741
C -0.829670 1.146468 -0.099169
C -0.994717 -1.328123 0.149954
C -2.369723 1.209237 -0.275556
C -2.531386 -1.222457 -0.031728
C -4.466495 0.201740 0.580193
H -0.342803 1.925078 -0.709770
H -0.572576 1.287296 0.969955
H -0.744052 -1.285900 1.228672
H -0.619491 -2.268357 -0.286764
H -2.733017 2.163446 0.147363
H -2.599068 1.199787 -1.368211
H -2.771938 -1.398907 -1.107605
H -3.011243 -2.018145 0.566586
H -4.841587 -0.607431 1.231390
H -5.006609 0.139658 -0.395527
H -4.723089 1.166369 1.052692


