%chk=000292317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292317

0 1
S 3.672443 2.401910 -0.826893
O 1.102256 1.326271 -0.208638
O 3.519257 3.114833 0.694718
O 5.079661 2.547237 -1.114291
O 2.692659 2.991378 -1.685901
O 4.871990 -3.658796 0.149371
O 6.301376 -2.105083 -0.329016
N 5.171458 -2.502496 -0.103188
C -4.493902 0.641279 0.767277
C -4.894222 -1.787230 -0.338173
C -5.169871 -0.257339 -0.302602
C -2.983171 0.752423 0.537377
C -5.057463 2.076876 0.608609
C -4.839862 0.158631 2.183966
C -5.410450 -2.306381 -1.702882
C -5.665984 -2.522837 0.774441
C -3.398745 -2.122255 -0.224348
C -2.508222 1.050749 -0.756167
C -2.057162 0.619229 1.584773
C -1.145418 1.194622 -1.013460
C -0.684193 0.760447 1.359591
C -0.266437 1.041913 0.060530
C 2.015687 0.326183 -0.171131
C 3.327553 0.761366 -0.451755
C 1.723194 -1.029113 0.109186
C 4.364821 -0.173627 -0.423447
C 2.757468 -1.944098 0.126146
C 4.083524 -1.515970 -0.135457
H -6.266763 -0.121259 -0.207958
H -4.917892 0.156663 -1.300733
H -4.904997 2.473107 -0.399969
H -4.573600 2.771099 1.304960
H -6.132493 2.109261 0.813093
H -4.438676 0.822775 2.956398
H -5.926976 0.124411 2.327395
H -4.463941 -0.857219 2.369759
H -4.870667 -1.853885 -2.539760
H -6.475120 -2.095080 -1.839353
H -5.283548 -3.390569 -1.787871
H -6.727926 -2.261022 0.772776
H -5.597599 -3.608984 0.653334
H -5.266425 -2.283692 1.767646
H -3.224308 -3.196683 -0.345586
H -2.811951 -1.607846 -0.991943
H -2.992458 -1.836788 0.750832
H -3.218455 1.169276 -1.577788
H -2.396049 0.408931 2.600312
H -0.768464 1.440339 -2.006636
H 0.032895 0.674053 2.173664
H 0.695810 -1.341206 0.302272
H 5.406991 0.135831 -0.630694
H 2.573948 -3.006287 0.340185
H 4.144516 3.831256 0.886231


%chk=000292317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292317

0 1
S 3.991157 2.529697 -0.595170
O 1.184381 1.398044 -0.301392
O 3.451918 3.066981 1.094213
O 5.603330 2.551267 -0.671829
O 3.129355 3.342166 -1.693909
O 4.860530 -3.828632 -0.135146
O 6.441114 -2.196957 -0.378572
N 5.218948 -2.592823 -0.258610
C -4.491011 0.662703 0.753095
C -4.978237 -1.876643 -0.235449
C -5.174433 -0.317390 -0.273982
C -2.969839 0.801538 0.494460
C -5.129305 2.071909 0.508230
C -4.800596 0.275266 2.221339
C -5.438431 -2.406793 -1.626142
C -5.879389 -2.548669 0.839327
C -3.503457 -2.305779 -0.017131
C -2.497207 1.165832 -0.797569
C -2.002608 0.637554 1.520479
C -1.124076 1.333610 -1.068955
C -0.621183 0.802997 1.274935
C -0.201982 1.134904 -0.025772
C 2.111757 0.375481 -0.264883
C 3.479622 0.730269 -0.395043
C 1.787086 -1.002359 -0.136097
C 4.512175 -0.209422 -0.392424
C 2.804445 -1.968636 -0.139028
C 4.153869 -1.567421 -0.263444
H -6.267078 -0.129587 -0.208163
H -4.879782 0.021781 -1.288027
H -5.021450 2.393138 -0.543528
H -4.650264 2.835791 1.147500
H -6.208980 2.046826 0.746184
H -4.480888 1.074224 2.916479
H -5.888918 0.139539 2.350759
H -4.307010 -0.662738 2.529176
H -4.781934 -2.030610 -2.433546
H -6.473680 -2.086667 -1.851559
H -5.412383 -3.512308 -1.652639
H -6.942100 -2.278876 0.686975
H -5.798670 -3.650060 0.767549
H -5.600257 -2.261842 1.866291
H -3.415743 -3.405457 -0.108236
H -2.835017 -1.846116 -0.768232
H -3.130965 -2.021875 0.983208
H -3.208347 1.327190 -1.614422
H -2.317968 0.379668 2.534957
H -0.766476 1.623596 -2.061300
H 0.111964 0.691574 2.080637
H 0.739324 -1.299193 -0.041266
H 5.560444 0.093907 -0.484327
H 2.575131 -3.033634 -0.048450
H 3.187211 4.029639 1.017652


