%chk=000218309.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218309

0 1
S -5.538525 -0.137756 -0.274658
O 6.080560 0.780764 -0.708120
O 8.309002 -0.770223 -1.824877
N 2.316012 0.356811 0.995763
N -2.660843 -0.033101 0.676088
C 5.114914 0.158441 0.181212
C 4.646207 1.189614 1.216883
C 3.970540 -0.223767 -0.765713
C 3.411876 0.675937 1.971225
C 2.749870 -0.705758 0.029376
C 1.066973 -0.048218 1.722178
C -0.133932 0.118278 0.777854
C -1.457767 0.008034 1.551356
C 7.431781 0.849513 -0.225350
C -3.072117 -1.287758 0.138257
C -3.168839 1.194528 0.153690
C -4.381149 -1.446807 -0.365977
C -4.490485 1.262017 -0.335404
C 8.135319 -0.496442 -0.429934
C -2.211797 -2.405956 0.126897
C -2.390924 2.370979 0.141332
C -4.816518 -2.662190 -0.886482
C -5.023223 2.450930 -0.827338
C -2.662596 -3.629627 -0.373346
C -2.937545 3.565886 -0.330416
C -3.955642 -3.765403 -0.884468
C -4.247301 3.614759 -0.815737
H 5.571468 -0.730457 0.661788
H 5.452881 1.436261 1.927578
H 4.399970 2.136912 0.690527
H 3.701291 0.662089 -1.381075
H 4.300149 -0.998355 -1.480778
H 3.688647 -0.190632 2.609551
H 3.040665 1.476074 2.649377
H 1.907473 -0.890956 -0.674280
H 2.975577 -1.674431 0.525545
H 1.107162 -1.085267 2.118576
H 0.939341 0.622497 2.601327
H -0.094929 -0.627125 -0.040296
H -0.068467 1.104251 0.264184
H -1.465487 -0.903839 2.192792
H -1.571529 0.869683 2.250770
H 7.464326 1.186764 0.822147
H 7.864053 1.632737 -0.882024
H 9.170312 -0.492061 -0.039774
H 7.570721 -1.332295 0.021867
H -1.193046 -2.331075 0.498560
H -1.354840 2.360113 0.481512
H -5.826608 -2.761011 -1.289017
H -6.043033 2.480342 -1.215849
H -1.989839 -4.487467 -0.369358
H -2.327405 4.469623 -0.326172
H -4.293251 -4.720128 -1.279598
H -4.661076 4.549165 -1.186518
H 7.459623 -0.602194 -2.297455


%chk=000218309-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218309

0 1
S -5.702912 -0.277589 -0.212240
O 6.320253 0.736203 -0.670811
O 8.320191 -0.936921 -1.835745
N 2.366284 0.478157 0.915206
N -2.698359 0.019577 0.635463
C 5.182742 0.190624 0.106278
C 4.747988 1.155583 1.227179
C 4.029434 -0.012775 -0.885500
C 3.461315 0.638986 1.905781
C 2.752638 -0.477209 -0.154555
C 1.082730 0.126472 1.569254
C -0.134959 0.252846 0.629400
C -1.458205 0.138767 1.436278
C 7.642776 0.587708 -0.024601
C -3.074801 -1.276800 0.167824
C -3.322751 1.218051 0.169229
C -4.382613 -1.541480 -0.334321
C -4.659286 1.223697 -0.325495
C 8.239398 -0.782083 -0.381604
C -2.160732 -2.369778 0.199250
C -2.637193 2.466069 0.196739
C -4.737526 -2.811399 -0.828889
C -5.258878 2.402512 -0.809823
C -2.531944 -3.654140 -0.254809
C -3.254306 3.655764 -0.246608
C -3.817273 -3.883497 -0.786367
C -4.565117 3.633197 -0.765125
H 5.469183 -0.790438 0.551246
H 5.544120 1.269485 1.987918
H 4.555243 2.147372 0.779168
H 3.834013 0.947799 -1.395995
H 4.315405 -0.756485 -1.652033
H 3.681777 -0.330030 2.430585
H 3.131773 1.359379 2.677235
H 1.929396 -0.553507 -0.885025
H 2.917315 -1.505346 0.268980
H 1.109262 -0.909807 2.004080
H 0.946937 0.822800 2.421285
H -0.113529 -0.528070 -0.150768
H -0.071072 1.221691 0.103454
H -1.406764 -0.743883 2.101476
H -1.565158 1.018198 2.097690
H 7.579619 0.732553 1.073305
H 8.259419 1.391433 -0.462470
H 9.273465 -0.867015 -0.003870
H 7.631997 -1.598235 0.068419
H -1.146650 -2.228811 0.578707
H -1.609259 2.519919 0.559875
H -5.747203 -2.964219 -1.225403
H -6.281429 2.357446 -1.200244
H -1.802301 -4.469531 -0.202005
H -2.695206 4.596407 -0.197245
H -4.106210 -4.872443 -1.155380
H -5.044444 4.548902 -1.124918
H 7.469410 -0.573405 -2.201256


