%chk=000225322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225322

0 1
S 0.921417 0.421016 0.495428
S -0.069430 -1.703538 -1.458126
O -1.529777 -0.007683 -0.279798
N -3.331017 1.312424 0.472447
N 3.288682 2.810120 -1.155341
C -1.907578 1.159592 0.621756
C -3.754406 1.738272 -0.891324
C -4.121241 0.153871 0.976300
C 2.491284 -0.362923 0.029961
C 2.988862 0.221628 -1.283531
C -0.314309 -0.445858 -0.443403
C 3.154605 1.663839 -1.209130
H -1.615670 0.860179 1.646767
H -1.342906 2.035860 0.247154
H -3.227029 2.664310 -1.172966
H -4.833028 1.965553 -0.880454
H -3.564478 0.981159 -1.670798
H -5.193372 0.409003 0.950021
H -3.857443 -0.048288 2.026942
H -3.968186 -0.772144 0.396512
H 3.196505 -0.171709 0.866101
H 2.372926 -1.467085 -0.047867
H 2.286717 -0.036721 -2.120536
H 3.958370 -0.256477 -1.570615


%chk=000225322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225322

0 1
S 0.944921 0.401429 0.554950
S 0.295787 -1.889340 -1.520903
O -1.501619 -0.270875 -0.386887
N -3.388145 1.181742 0.385963
N 3.581232 2.893173 -1.234165
C -2.033586 1.044955 0.573548
C -3.881026 1.787532 -0.866868
C -4.304033 0.222609 1.034101
C 2.614935 -0.301061 0.051873
C 3.126072 0.266989 -1.291257
C -0.214747 -0.626854 -0.508142
C 3.374310 1.718098 -1.259788
H -1.738918 0.710900 1.578315
H -1.426062 1.868724 0.172541
H -3.175665 2.562695 -1.209465
H -4.862204 2.261493 -0.688111
H -3.988447 1.032614 -1.671024
H -5.284689 0.702005 1.200775
H -3.893983 -0.083500 2.010902
H -4.449591 -0.685474 0.415697
H 3.290166 -0.060149 0.888431
H 2.481717 -1.392563 -0.040298
H 2.392932 0.026193 -2.084319
H 4.070140 -0.246931 -1.560369


