%chk=000294595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294595

0 1
S 2.444776 -0.883835 0.969641
O 2.501286 2.111189 0.176086
O 4.594479 1.643481 0.845172
O -5.918854 1.624396 -0.274717
O -6.249982 -0.461582 -0.739674
N 4.747188 0.741119 -1.977958
N -5.558258 0.459656 -0.334982
C 3.550232 -1.008243 -0.507028
C 3.607870 0.434554 -1.083259
C 2.996852 -1.993074 -1.516814
C 4.872435 -1.462591 0.087324
C 0.798861 -0.451770 0.306552
C -0.199605 -0.781019 1.410081
C 3.686157 1.415644 0.086508
C -1.598707 -0.459140 0.957147
C -2.063842 0.867254 0.998203
C -2.441594 -1.480952 0.487234
C -3.355803 1.173375 0.578036
C -3.736309 -1.186726 0.065054
C -4.187932 0.142010 0.112012
H 2.666593 0.646540 -1.669798
H 2.020304 -1.694299 -1.919624
H 2.866942 -2.992969 -1.074935
H 3.671221 -2.119031 -2.374570
H 4.768789 -2.387239 0.674910
H 5.620167 -1.674135 -0.686562
H 5.308343 -0.706116 0.764741
H 0.584476 -1.020265 -0.616482
H 0.781672 0.628829 0.048715
H 0.039218 -0.213945 2.338565
H -0.118716 -1.851368 1.704567
H 4.767587 0.100662 -2.765719
H 5.637010 0.664297 -1.487021
H -1.410553 1.661871 1.360527
H -2.084498 -2.510534 0.452864
H -3.730475 2.202834 0.606037
H -4.403811 -1.974684 -0.301445
H 2.504084 2.771706 0.920414


%chk=000294595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294595

0 1
S 2.458699 -1.166900 1.090180
O 2.577372 2.208673 0.239832
O 4.788313 1.685387 0.721535
O -5.877831 1.798621 -0.549353
O -6.371751 -0.414593 -0.796878
N 4.615228 0.563381 -2.065138
N -5.574625 0.545574 -0.461953
C 3.615300 -1.080796 -0.461100
C 3.584753 0.379952 -1.029166
C 3.151493 -2.071740 -1.543518
C 5.003311 -1.474786 0.089039
C 0.760976 -0.693240 0.390399
C -0.284093 -0.850522 1.523839
C 3.739471 1.431835 0.086962
C -1.676803 -0.490384 1.031321
C -2.070638 0.870596 0.914966
C -2.597079 -1.501352 0.646186
C -3.343275 1.221482 0.427728
C -3.876122 -1.174079 0.155431
C -4.230891 0.188545 0.052040
H 2.598020 0.538026 -1.496454
H 2.115193 -1.874664 -1.873381
H 3.204230 -3.106832 -1.164979
H 3.810152 -1.972338 -2.425699
H 4.959120 -2.480844 0.541788
H 5.730216 -1.511594 -0.742916
H 5.365589 -0.759888 0.846544
H 0.519822 -1.363239 -0.452175
H 0.799091 0.351978 0.041036
H 0.006231 -0.196512 2.367894
H -0.262347 -1.891897 1.893510
H 4.382352 1.256269 -2.781398
H 5.560099 0.688441 -1.687473
H -1.372209 1.659998 1.215626
H -2.307406 -2.554372 0.736472
H -3.662288 2.263024 0.336115
H -4.596520 -1.940661 -0.141833
H 2.736449 2.895353 0.944773


