%chk=000201979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201979

0 1
S -1.415081 1.699343 0.096843
S 2.140130 3.091085 -0.033307
P -2.484171 -0.078510 0.196558
O -2.436038 -0.436778 -1.418893
O -4.058958 0.344329 0.445448
O -2.030709 -1.103428 1.158783
C 1.027126 0.686229 0.719140
C -0.094410 1.435037 1.355686
C 2.093370 1.334241 0.078412
C 1.024260 -0.717950 0.773660
C 2.052157 -1.460240 0.179552
C 3.119004 0.599833 -0.525344
C 3.103200 -0.793078 -0.475921
C 2.043415 -2.952391 0.244091
C 3.565984 3.513347 1.000673
C -2.828251 -1.788916 -1.751750
C -4.627039 1.295027 -0.483456
H -0.485733 0.916271 2.256569
H 0.194842 2.457510 1.688865
H 0.206134 -1.242093 1.284769
H 3.932735 1.112787 -1.040477
H 3.900942 -1.363902 -0.945448
H 2.181794 -3.402093 -0.748790
H 2.853233 -3.324896 0.888129
H 1.102057 -3.351123 0.649289
H 4.499240 3.115131 0.590255
H 3.449051 3.146193 2.025239
H 3.639711 4.608116 1.029500
H -3.911957 -1.911816 -1.636380
H -2.272711 -2.531732 -1.163382
H -2.546597 -1.864377 -2.812511
H -4.411309 1.039639 -1.528913
H -4.291598 2.310488 -0.233159
H -5.705624 1.201118 -0.285729


%chk=000201979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201979

0 1
S -1.352111 1.758776 -0.281711
S 2.205422 3.167222 -0.094100
P -2.608047 -0.128950 -0.042436
O -2.805032 -0.550575 -1.717926
O -4.209736 0.336941 0.452000
O -2.059034 -1.261147 0.931728
C 1.143694 0.623204 0.634897
C -0.086390 1.331195 1.131371
C 2.262162 1.329001 0.107872
C 1.206958 -0.795243 0.715676
C 2.350642 -1.518627 0.307797
C 3.405387 0.613770 -0.319015
C 3.454627 -0.790355 -0.210681
C 2.401787 -3.031928 0.422165
C 3.648743 3.666158 1.025070
C -3.370013 -1.889662 -2.026199
C -4.865941 1.479652 -0.222020
H -0.642376 0.727784 1.865203
H 0.137816 2.331440 1.534019
H 0.327403 -1.329136 1.095769
H 4.250896 1.157798 -0.754504
H 4.350058 -1.327153 -0.547614
H 2.714260 -3.497645 -0.530850
H 3.129444 -3.350410 1.193176
H 1.418364 -3.447874 0.698433
H 4.580970 3.199752 0.672651
H 3.441201 3.371142 2.064533
H 3.729127 4.762001 0.948628
H -4.387743 -1.998698 -1.608626
H -2.713754 -2.686166 -1.634895
H -3.402930 -1.925311 -3.125075
H -4.948301 1.306347 -1.310380
H -4.312558 2.417277 -0.028702
H -5.866796 1.531820 0.231748


