%chk=000239913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239913

0 1
S -0.073019 -0.263607 -0.926764
S 4.199313 -2.276390 0.525787
O 0.166099 -1.394811 -0.054964
O -0.434417 -0.469280 -2.310695
O 3.356264 2.495391 1.024062
O 1.195378 2.147489 1.473012
N 1.423259 0.605051 -0.999972
C 2.389944 0.474357 0.103514
C 3.838731 0.287051 -0.371764
C -1.135506 0.902923 -0.176869
C 4.109899 -1.119846 -0.879288
C -2.489303 0.317912 0.073854
C 2.205504 1.759745 0.928885
C -2.956288 0.156901 1.386481
C -3.302681 -0.054224 -1.009534
C -4.230965 -0.371792 1.611711
C -4.573875 -0.581661 -0.775078
C -5.041684 -0.739946 0.534290
C 2.706659 -3.272842 0.364054
H 2.111232 -0.384584 0.794451
H 4.531532 0.537413 0.466583
H 4.085430 1.033290 -1.157017
H 1.852725 0.789168 -1.913170
H -0.688651 1.314477 0.770656
H -1.238897 1.827283 -0.793014
H 5.090404 -1.163306 -1.395744
H 3.356613 -1.451966 -1.615823
H -2.328817 0.436983 2.231395
H -2.940048 0.055050 -2.034473
H -4.590320 -0.498136 2.632275
H -5.201586 -0.872944 -1.616681
H -6.033042 -1.151922 0.712704
H 3.241564 3.324710 1.565338
H 2.643817 -3.929264 1.242156
H 2.723255 -3.900537 -0.531938
H 1.782276 -2.666736 0.342479


%chk=000239913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239913

0 1
S -0.029493 -0.547927 -0.755910
S 4.414210 -2.290858 0.443031
O 0.069108 -1.304357 0.690939
O -0.196930 -1.420802 -2.124640
O 3.095624 1.970212 1.960380
O 0.963208 2.201397 1.093010
N 1.570753 0.443717 -1.009042
C 2.466173 0.454446 0.175405
C 3.947491 0.459983 -0.276743
C -1.383763 0.946351 -0.702922
C 4.418332 -0.894757 -0.844787
C -2.677464 0.456478 -0.172055
C 2.075851 1.630433 1.070621
C -2.932754 0.496601 1.226311
C -3.673285 -0.056190 -1.048589
C -4.168522 0.047516 1.735155
C -4.907630 -0.505742 -0.536828
C -5.158181 -0.452497 0.855319
C 2.903987 -3.304037 -0.083086
H 2.323351 -0.452030 0.814500
H 4.565724 0.721230 0.598093
H 4.097851 1.255586 -1.034727
H 2.004174 -0.043864 -1.817065
H -0.826036 1.656141 -0.073339
H -1.370952 1.221187 -1.768069
H 5.463238 -0.808657 -1.187218
H 3.814611 -1.241237 -1.703820
H -2.158988 0.875476 1.903239
H -3.472932 -0.104667 -2.125318
H -4.361240 0.081673 2.812737
H -5.671390 -0.898258 -1.216670
H -6.117906 -0.801731 1.252295
H 2.769894 2.676639 2.581795
H 2.987103 -4.256544 0.463944
H 2.945145 -3.506291 -1.165142
H 1.962437 -2.803219 0.190093


