%chk=000210372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210372

0 1
S -5.960847 1.015057 0.876650
S -6.584722 0.509102 -1.017982
O 2.736091 -0.378714 0.246073
O -6.770918 -1.135026 -0.763503
O -7.894129 1.021613 -1.242845
O -5.507156 0.661916 -1.935784
N -2.029969 -0.011159 0.599480
C 0.424640 -0.129321 0.410264
C -0.816062 0.731781 0.138002
C 1.702834 0.642696 0.092485
C -3.290225 0.724088 0.263441
C -4.411287 0.077260 1.074045
C 4.047058 -0.011634 0.046947
C 4.941877 -1.084655 0.232589
C 6.307510 -0.857010 0.060687
C 4.484001 1.270949 -0.303205
C 6.767246 0.429675 -0.292501
C 5.860656 1.471404 -0.469314
C 7.291459 -1.965673 0.247695
H 0.437973 -0.463294 1.470449
H 0.402749 -1.066318 -0.183811
H -0.758003 1.679108 0.721066
H -0.860079 1.015342 -0.936717
H 1.900830 1.457683 0.808777
H 1.733535 1.018079 -0.944376
H -2.051459 -0.941796 0.164854
H -3.525724 0.713378 -0.829012
H -3.173520 1.794329 0.550445
H -4.171135 0.093496 2.161845
H -4.562558 -0.988953 0.810753
H 4.551130 -2.060873 0.504793
H 3.796616 2.094196 -0.445428
H 7.830705 0.603596 -0.425531
H 6.222778 2.463238 -0.742087
H 8.011768 -1.727108 1.043629
H 6.815406 -2.917280 0.518300
H 7.869216 -2.143183 -0.670937
H -7.610186 -1.538190 -1.043434


%chk=000210372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210372

0 1
S -6.002996 1.048318 1.004118
S -6.886124 -0.003203 -1.057299
O 2.838487 -0.444090 0.281341
O -8.367200 -0.816814 -0.284473
O -7.431801 1.007652 -2.196052
O -5.821764 -1.152932 -1.489455
N -2.007538 0.133850 0.435910
C 0.458767 -0.118935 0.378535
C -0.735021 0.841888 0.210556
C 1.796842 0.581463 0.127172
C -3.244036 0.921233 0.355429
C -4.393849 0.097276 0.963574
C 4.176644 -0.056153 0.078516
C 5.130902 -1.093527 0.228947
C 6.507319 -0.839281 0.049491
C 4.587838 1.256724 -0.253466
C 6.921082 0.480873 -0.285698
C 5.969118 1.508802 -0.432866
C 7.532149 -1.949517 0.211149
H 0.449800 -0.545461 1.397299
H 0.367104 -0.963908 -0.332038
H -0.666625 1.665489 0.949500
H -0.693680 1.316813 -0.801686
H 1.962259 1.400768 0.858555
H 1.838357 1.009025 -0.897259
H -2.063772 -0.769726 -0.051736
H -3.520471 1.224876 -0.681781
H -3.100392 1.852429 0.936318
H -4.173798 -0.218974 1.999533
H -4.579270 -0.816452 0.360293
H 4.771564 -2.095544 0.486532
H 3.867118 2.070633 -0.373289
H 7.986644 0.695131 -0.429296
H 6.296692 2.522455 -0.690718
H 8.244411 -1.719160 1.025734
H 7.052833 -2.915133 0.445545
H 8.126640 -2.081595 -0.712256
H -9.036135 -0.967494 -1.017878


