%chk=000181963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181963

0 1
S -5.995600 -1.136910 -1.027684
O -6.810781 -1.604118 -2.123164
O -5.785102 -1.959476 0.137442
N 0.244815 0.939253 0.808105
N 4.228907 -0.004462 -0.376889
N -1.913079 -0.039447 2.316915
N -4.479816 -0.802069 -1.789739
C 1.541978 0.599768 0.350860
C 2.549593 1.612588 0.373736
C 1.899602 -0.725628 -0.018805
C 3.889312 1.254693 0.011179
C 3.267150 -0.968617 -0.393656
C -0.938484 0.458002 0.125494
C 4.940792 2.272294 0.040857
C 2.285129 2.981884 0.733544
C -2.012238 -0.063798 0.917867
C 1.003676 -1.852194 -0.015974
C 4.624582 3.552135 0.400833
C -1.057840 0.506509 -1.268299
C -3.287420 -0.421489 -1.129005
C 3.674520 -2.295789 -0.805889
C 3.280404 3.912598 0.746536
C -3.181670 -0.504254 0.267192
C -2.214412 0.071544 -1.906220
C 6.331021 1.875745 -0.322764
C 1.420325 -3.095131 -0.396314
C 2.776562 -3.318986 -0.808776
C -2.799757 -0.903241 3.130243
C -6.526683 0.437160 -0.510934
H 0.135261 1.933950 1.065443
H 1.265284 3.264968 0.998353
H -0.026515 -1.703868 0.308635
H -0.223919 0.884720 -1.865537
H 5.386254 4.330030 0.432498
H 4.715552 -2.430094 -1.102859
H -3.974332 -0.968071 0.859561
H 3.081624 4.947855 1.018010
H -2.283887 0.112322 -2.988252
H 7.043339 2.705837 -0.277932
H 6.695670 1.075378 0.342113
H 6.363178 1.451277 -1.340048
H 0.736098 -3.941282 -0.392503
H 3.065250 -4.323707 -1.116394
H -0.961976 0.028788 2.693389
H -4.397690 -0.948622 -2.806340
H -3.860136 -0.653342 2.943454
H -2.600592 -0.720798 4.199243
H -2.668300 -1.980371 2.927020
H -6.948199 1.045996 -1.325910
H -7.314431 0.391284 0.257882
H -5.727820 1.051784 -0.063714


%chk=000181963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181963

0 1
S -6.254335 -0.933421 -0.906417
O -7.205249 -1.519380 -2.085193
O -6.259112 -1.590460 0.581835
N 0.284114 0.626543 0.750989
N 4.372610 0.063501 -0.454326
N -1.847528 -0.142339 2.345178
N -4.618304 -0.949790 -1.667226
C 1.600691 0.425071 0.295513
C 2.533234 1.518741 0.372862
C 2.065620 -0.854219 -0.167470
C 3.925103 1.270226 0.012998
C 3.467783 -0.963039 -0.554826
C -0.925525 0.184118 0.115368
C 4.901410 2.340824 0.133402
C 2.151195 2.845930 0.775073
C -2.029794 -0.169795 0.961699
C 1.250882 -2.038936 -0.212434
C 4.477084 3.597684 0.567576
C -1.072677 0.125222 -1.284697
C -3.395419 -0.585126 -1.039747
C 3.960756 -2.227338 -1.035000
C 3.101556 3.858542 0.873875
C -3.264414 -0.552020 0.371111
C -2.295853 -0.250004 -1.875894
C 6.344741 2.064244 -0.222094
C 1.769098 -3.251295 -0.663090
C 3.134547 -3.345152 -1.094636
C -2.887626 -0.552550 3.290103
C -6.561323 0.939606 -0.690842
H 0.161417 1.439404 1.363919
H 1.100070 3.092281 0.969822
H 0.206862 -1.989626 0.105958
H -0.221899 0.396447 -1.918515
H 5.208777 4.408987 0.658700
H 5.013079 -2.264828 -1.333133
H -4.088102 -0.903896 0.998047
H 2.797675 4.868240 1.171165
H -2.405296 -0.257364 -2.965018
H 6.971466 2.958623 -0.062795
H 6.744763 1.229033 0.379968
H 6.434320 1.743333 -1.275441
H 1.130576 -4.141159 -0.686334
H 3.524643 -4.302329 -1.458147
H -0.875649 -0.166197 2.661459
H -4.635515 -1.455343 -2.558450
H -3.789900 0.077207 3.179743
H -2.511451 -0.426668 4.318607
H -3.196326 -1.611033 3.158497
H -6.580865 1.357705 -1.705508
H -7.528951 1.020822 -0.176521
H -5.727760 1.323574 -0.086911


