%chk=000262963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262963

0 1
S 0.305137 -0.983158 -1.914053
S -0.305332 -0.983152 1.914287
S 1.927891 1.437303 -2.512137
S -1.927962 1.437474 2.512046
O 2.354750 -1.836223 1.249125
O -2.354743 -1.836315 -1.249002
N 2.305786 -0.241563 -0.433534
N -2.305882 -0.241597 0.433610
C 0.613305 -2.020427 -0.442841
C -0.613408 -2.020468 0.443087
C 1.820799 -1.404544 0.260829
C -1.820950 -1.404695 -0.260595
C 1.627440 0.168650 -1.566820
C -1.627589 0.168667 1.566910
C 3.424005 0.558686 0.165045
C -3.423962 0.558708 -0.165152
C 2.892066 1.670403 1.057159
C -2.891828 1.670275 -1.057337
H 0.870605 -3.059914 -0.777147
H -0.870634 -3.059970 0.777404
H 4.062672 -0.145484 0.751314
H 4.047510 0.971276 -0.662315
H -4.062652 -0.145459 -0.751401
H -4.047496 0.971449 0.662110
H 2.265173 2.383029 0.503493
H 2.286016 1.281389 1.886918
H 3.717767 2.242973 1.498977
H -2.264922 2.382902 -0.503687
H -2.285732 1.281111 -1.886992
H -3.717430 2.242875 -1.499301


%chk=000262963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262963

0 1
S 0.496002 0.400771 -1.705568
S -0.495891 0.400989 1.705428
S 3.006987 2.174411 -1.953568
S -3.006876 2.174633 1.953389
O 2.313185 -2.015750 0.884687
O -2.313199 -2.015814 -0.884477
N 2.765433 -0.086578 -0.392204
N -2.765367 -0.086470 0.392183
C 0.540136 -1.100610 -0.551285
C -0.540083 -1.100523 0.551318
C 1.947844 -1.142731 0.058015
C -1.947789 -1.142652 -0.057986
C 2.224965 0.843162 -1.294270
C -2.224860 0.843358 1.294135
C 4.149041 0.046590 0.142679
C -4.149007 0.046633 -0.142634
C 4.190856 0.936032 1.399310
C -4.190902 0.935963 -1.399341
H 0.382396 -2.002005 -1.171654
H -0.382382 -2.001852 1.171793
H 4.492638 -0.976076 0.372941
H 4.766766 0.473788 -0.665267
H -4.492604 -0.976057 -0.372788
H -4.766693 0.473894 0.665309
H 3.836446 1.955702 1.172873
H 3.571907 0.509561 2.207151
H 5.230839 1.005429 1.764305
H -3.836490 1.955657 -1.173013
H -3.571993 0.509427 -2.207178
H -5.230906 1.005317 -1.764284


