%chk=000219350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219350

0 1
S 3.185483 -2.375172 -0.133465
S -5.011557 -0.282952 0.564950
S 0.708765 2.172025 1.382517
S -0.490682 2.525313 -0.259094
O 4.488244 -2.820588 -0.589719
O 2.521765 -3.016570 0.980326
O -5.542569 1.042157 0.822987
O -5.787476 -1.271872 -0.161380
N 3.232535 3.497834 0.378544
N 0.320036 0.116825 -1.938605
N 2.116017 -2.635640 -1.484428
N -4.734667 -0.971673 2.118496
C 3.193336 -0.679428 0.051899
C -3.456709 -0.153597 -0.136255
C 2.093036 1.370778 0.719761
C -1.406014 1.084343 -0.503720
C 2.108658 -0.019184 0.635435
C -2.672400 0.979801 0.076525
C 3.215254 2.130018 0.281503
C -0.903759 0.031454 -1.319860
C 4.308965 0.065438 -0.387520
C -2.964275 -1.202673 -0.942040
C 4.335241 1.441080 -0.278473
C -1.714113 -1.128247 -1.522186
H 1.255220 -0.597204 1.019776
H -3.055647 1.802013 0.699441
H 5.169904 -0.464763 -0.820110
H -3.593199 -2.087174 -1.112933
H 5.205076 2.001133 -0.611676
H -1.346838 -1.940210 -2.143715
H 4.029507 4.032762 0.078949
H 2.462722 4.015918 0.781473
H 0.745400 -0.701873 -2.356092
H 0.942111 0.896505 -1.774012
H 2.551967 -2.982627 -2.339865
H 1.299539 -3.220324 -1.296530
H -4.920698 -0.397913 2.937516
H -5.070176 -1.916012 2.291679


%chk=000219350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219350

0 1
S 3.287487 -2.393560 -0.331436
S -5.267868 -0.193517 0.610122
S 0.763924 2.263600 1.449116
S -0.543025 2.545525 -0.557113
O 4.777978 -2.881838 -0.766643
O 2.406065 -3.147583 0.804472
O -5.683944 1.359939 0.881956
O -6.199861 -1.218082 -0.246852
N 3.388913 3.585609 0.510515
N 0.281905 -0.174581 -1.813018
N 2.158786 -2.502785 -1.883305
N -5.039467 -1.064373 2.222760
C 3.348984 -0.564194 -0.006379
C -3.546677 -0.188961 -0.106794
C 2.244816 1.442305 0.774850
C -1.510346 1.016511 -0.623942
C 2.249164 0.040624 0.616383
C -2.807687 0.995921 -0.055708
C 3.388135 2.219259 0.359960
C -0.968199 -0.173949 -1.248002
C 4.491899 0.155638 -0.419378
C -3.054278 -1.374429 -0.699215
C 4.513560 1.540952 -0.215294
C -1.775666 -1.361371 -1.264873
H 1.391224 -0.550099 0.951151
H -3.227634 1.896305 0.403939
H 5.340295 -0.369428 -0.870120
H -3.676614 -2.274500 -0.727953
H 5.392782 2.121026 -0.516141
H -1.378669 -2.262928 -1.742337
H 4.181831 4.151533 0.220129
H 2.567195 4.036639 0.917917
H 0.816676 -1.046367 -1.987008
H 0.803292 0.705352 -1.795981
H 2.803540 -2.540338 -2.697506
H 1.689800 -3.424566 -1.772131
H -4.921004 -0.363196 2.973346
H -5.869308 -1.666390 2.360612


