%chk=000224939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224939

0 1
S -0.552598 0.816162 -0.773396
O -0.079527 -0.004913 -1.858174
O -0.671653 2.250208 -0.889012
N -2.072952 0.225713 -0.282017
N 0.449946 0.538965 0.621467
C -2.218937 -1.244599 -0.093680
C -2.859273 1.053484 0.675276
C -3.704483 -1.639201 -0.165658
C -4.347120 0.668666 0.600756
C -4.542035 -0.834396 0.835917
C 1.857488 0.271847 0.438662
C 2.305011 -1.007261 0.031999
C 2.786678 1.288618 0.730971
C 3.687641 -1.225919 -0.080557
C 1.355122 -2.110528 -0.289758
C 4.154790 1.042756 0.619383
C 4.605878 -0.215880 0.210672
H -1.786456 -1.573238 0.878430
H -1.657785 -1.761464 -0.908045
H -2.738352 2.128164 0.395822
H -2.492350 0.928754 1.718385
H -3.809063 -2.723381 0.022260
H -4.082177 -1.461601 -1.193363
H -4.748356 0.944849 -0.395836
H -4.919531 1.256560 1.341324
H -5.611432 -1.098317 0.733866
H -4.257775 -1.099412 1.871875
H 0.301897 1.193404 1.406886
H 2.440915 2.274728 1.037619
H 4.048507 -2.203006 -0.400667
H 0.856315 -1.907572 -1.259379
H 1.849569 -3.084790 -0.380382
H 0.572783 -2.207443 0.474360
H 4.868392 1.832989 0.845313
H 5.673023 -0.408643 0.117380


%chk=000224939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224939

0 1
S -0.587052 0.938608 -0.787050
O -0.032410 0.076778 -2.043659
O -0.764156 2.555617 -0.874673
N -2.282134 0.271686 -0.394855
N 0.608587 0.505012 0.912231
C -2.330464 -1.208620 -0.298534
C -2.932121 0.979642 0.737843
C -3.823327 -1.617929 -0.358734
C -4.436535 0.615909 0.697362
C -4.633569 -0.917132 0.757097
C 1.968307 0.276076 0.577644
C 2.379683 -1.045192 0.189115
C 2.937110 1.322001 0.686258
C 3.755538 -1.265594 -0.053973
C 1.376287 -2.167415 0.046674
C 4.299892 1.070304 0.453681
C 4.710886 -0.231250 0.074938
H -1.875158 -1.568499 0.651207
H -1.773232 -1.633648 -1.150153
H -2.786734 2.064488 0.600739
H -2.498105 0.668938 1.715865
H -3.890953 -2.718422 -0.263845
H -4.226619 -1.338271 -1.349790
H -4.871197 1.016171 -0.237399
H -4.943256 1.112889 1.546364
H -5.706576 -1.167073 0.662067
H -4.301156 -1.293968 1.746483
H 0.501544 1.449814 1.342056
H 2.601341 2.331072 0.958234
H 4.083995 -2.270195 -0.345062
H 0.813562 -2.055753 -0.899617
H 1.876162 -3.150681 0.038487
H 0.641114 -2.140149 0.869692
H 5.033825 1.877051 0.551540
H 5.769024 -0.437962 -0.119534


