%chk=000299051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299051

0 1
S 2.194394 0.281253 -1.142035
O 2.686692 0.056572 1.472656
O -4.492985 -0.939777 -1.305359
N 4.465226 -0.369884 0.082347
N -3.553821 0.242731 0.440915
C -2.179451 0.213858 0.049276
C 0.522289 0.233897 -0.608575
C -1.740183 -0.441012 -1.116408
C -1.255300 0.874429 0.889160
C -0.383408 -0.436220 -1.437160
C 0.097797 0.883476 0.553487
C 3.159195 -0.043411 0.361602
C 4.994913 -0.474179 -1.292726
C 5.413675 -0.601576 1.196605
C -4.637356 -0.340888 -0.260554
C -5.965912 -0.141771 0.414808
H -2.455881 -0.956886 -1.766533
H -1.582673 1.373603 1.797572
H -0.043143 -0.957061 -2.334825
H 0.821211 1.377782 1.211238
H -3.750822 0.732928 1.316283
H 4.962566 0.502880 -1.809753
H 4.417333 -1.207517 -1.887570
H 6.044184 -0.811843 -1.284415
H 5.823906 -1.623781 1.151374
H 4.896634 -0.486225 2.170567
H 6.241920 0.124750 1.163624
H -6.005328 -0.599101 1.412381
H -6.761622 -0.617885 -0.184428
H -6.235751 0.917957 0.513447


%chk=000299051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299051

0 1
S 2.255517 0.359019 -1.321997
O 2.569841 -0.257409 1.379390
O -4.621438 -1.162770 -1.178147
N 4.508925 -0.417238 0.080100
N -3.585924 0.242931 0.394506
C -2.226902 0.224178 -0.029996
C 0.511169 0.284905 -0.750476
C -1.771936 -0.531234 -1.143485
C -1.299540 1.004973 0.713294
C -0.403882 -0.500195 -1.487203
C 0.059928 1.042585 0.354157
C 3.163791 -0.175747 0.275893
C 5.201642 -0.319290 -1.214720
C 5.350299 -0.715313 1.257219
C -4.688603 -0.415937 -0.159166
C -5.997618 -0.151647 0.587604
H -2.482895 -1.132138 -1.712303
H -1.642261 1.588314 1.577879
H -0.049008 -1.095833 -2.334498
H 0.764977 1.641527 0.935035
H -3.775084 0.816924 1.220045
H 5.674665 0.672592 -1.352390
H 4.502393 -0.496596 -2.047203
H 5.988934 -1.092919 -1.259701
H 5.826496 -1.707489 1.145818
H 4.715111 -0.717753 2.155057
H 6.141549 0.050249 1.370709
H -5.941801 -0.507357 1.633308
H -6.806755 -0.690783 0.074858
H -6.243294 0.926551 0.603413


