%chk=000217078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217078

0 1
S 0.829158 -0.523255 -1.262220
S -2.166996 1.275704 -0.003009
S 4.111810 0.105103 -2.171234
S -5.173364 1.283402 -0.520093
P 2.809995 -0.109696 -0.801128
O 2.502274 1.184763 0.195263
O 3.051173 -1.316608 0.311673
N -2.285340 -1.299779 -0.012365
N -3.546878 -0.885825 -0.234381
C 0.036367 -0.476580 0.404927
C -1.395468 -0.324083 0.136646
C -3.693716 0.438315 -0.262750
C 3.618666 2.027980 0.556812
C 4.401732 -1.791245 0.510050
C -6.378280 -0.031128 -0.754700
H 0.447226 0.344653 1.035577
H 0.256211 -1.434724 0.938597
H 3.122734 2.846120 1.101415
H 4.132128 2.430142 -0.327267
H 4.307406 1.496740 1.222581
H 4.842877 -2.169176 -0.422395
H 4.247382 -2.624382 1.213462
H 5.028017 -1.019617 0.969861
H -6.133643 -0.665501 -1.619496
H -7.359837 0.431090 -0.923182
H -6.444535 -0.692313 0.121855


%chk=000217078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217078

0 1
S 1.263164 -1.489031 -1.625089
S -1.326761 0.835492 -0.045037
S 4.324809 0.553655 -2.120329
S -4.321134 1.756995 -0.215177
P 2.825720 -0.038800 -0.839521
O 1.744840 1.130306 -0.152962
O 3.335856 -0.728832 0.689091
N -2.248178 -1.671992 -0.212774
N -3.398223 -0.861783 -0.257682
C 0.216447 -1.664874 -0.014755
C -1.107602 -0.990950 -0.100792
C -3.105391 0.441313 -0.180294
C 2.331704 2.334895 0.485632
C 4.490654 -1.653247 0.689989
C -5.886356 0.714865 -0.389047
H 0.849567 -1.288334 0.803684
H 0.059833 -2.748249 0.103502
H 1.461413 2.945700 0.767061
H 2.966275 2.881446 -0.234887
H 2.913563 2.052107 1.379698
H 4.228448 -2.606391 0.195609
H 4.710104 -1.825847 1.754136
H 5.359961 -1.193102 0.186107
H -5.831191 0.126956 -1.315156
H -6.712340 1.441285 -0.424232
H -5.978083 0.046520 0.477723


