%chk=000292018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292018

0 1
S -3.764343 -1.063869 -0.868444
S 3.725750 -1.319034 0.641206
O -5.144998 -1.235207 -0.458030
O -3.418123 -1.226269 -2.268338
O 5.101982 -1.450446 0.202200
O 3.370824 -1.732116 1.986325
N -2.859525 -2.204373 0.068560
N 2.790544 -2.235439 -0.491490
C -1.431195 -2.293019 -0.110813
C 1.359675 -2.313972 -0.328073
C -3.157100 0.447536 -0.306690
C 3.164810 0.288353 0.375992
C -0.635207 -2.430432 1.042236
C 0.753291 -2.449565 0.933625
C -0.825527 -2.205307 -1.377053
C 0.563261 -2.207069 -1.484003
C -3.532545 -3.498899 0.350735
C 3.425731 -3.473348 -1.013511
C -2.062215 1.045082 -0.940945
C 2.085562 0.787304 1.113777
C -3.764857 1.084507 0.781407
C 3.794777 1.101102 -0.573577
C -2.173371 2.908035 0.608260
C 2.256499 2.905031 -0.056257
C -1.568042 2.267934 -0.486574
C 1.628860 2.087883 0.899300
C -3.278253 2.308976 1.238964
C 3.345719 2.403616 -0.790879
C -1.661026 4.222355 1.094880
C 1.784456 4.301996 -0.285182
H -1.108531 -2.518109 2.020566
H 1.366468 -2.570675 1.836834
H -1.439406 -2.135244 -2.285175
H 1.036546 -2.122014 -2.462590
H -3.062083 -3.986754 1.221110
H -3.491362 -4.199985 -0.499392
H -4.594776 -3.314368 0.606304
H 2.943238 -3.775190 -1.958488
H 3.361738 -4.319945 -0.309867
H 4.493573 -3.275505 -1.233186
H -1.591178 0.555706 -1.801893
H 1.597361 0.158316 1.867850
H -4.631036 0.624740 1.271974
H 4.648929 0.716938 -1.143800
H -0.711442 2.720665 -0.983333
H 0.784032 2.463617 1.474270
H -3.757232 2.801173 2.083322
H 3.841834 3.032055 -1.528138
H -1.612025 4.266712 2.192375
H -0.649217 4.455952 0.714245
H -2.322476 5.042036 0.771978
H 0.779107 4.489575 0.135875
H 2.469114 5.026386 0.184025
H 1.739407 4.553471 -1.354574


%chk=000292018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292018

0 1
S -2.842229 0.401148 -0.883906
S 2.847093 0.205855 0.941672
O -4.257272 0.783079 -1.609709
O -1.430337 1.046064 -1.421904
O 4.266860 0.427995 1.721887
O 1.444581 0.753364 1.598345
N -2.722362 -1.744495 -0.952140
N 2.708317 -1.908146 0.605367
C -1.358284 -2.009251 -0.645102
C 1.343060 -2.102735 0.254139
C -2.974004 0.772172 0.951455
C 2.979507 0.914897 -0.791324
C -1.056051 -2.192096 0.738637
C 0.270400 -2.246788 1.186557
C -0.285608 -1.972599 -1.587869
C 1.040798 -2.011566 -1.138533
C -3.226028 -2.061339 -2.311328
C 3.211461 -2.481756 1.877917
C -1.797466 1.023736 1.677561
C 1.805995 1.325480 -1.446989
C -4.260427 0.798364 1.517667
C 4.263511 1.019847 -1.353095
C -3.209387 1.365781 3.676739
C 3.217604 2.009515 -3.356855
C -1.935424 1.320253 3.052930
C 1.945139 1.873736 -2.742031
C -4.364968 1.101146 2.891475
C 4.369594 1.575308 -2.646066
C -3.342650 1.718837 5.146575
C 3.349879 2.634673 -4.733285
H -1.893687 -2.243665 1.441038
H 0.472345 -2.337564 2.257676
H -0.486949 -1.850736 -2.656014
H 1.878403 -1.928106 -1.837914
H -3.499490 -3.133291 -2.306968
H -2.523674 -1.875446 -3.148152
H -4.144246 -1.471957 -2.483554
H 3.462501 -3.539357 1.672389
H 2.517269 -2.440387 2.740800
H 4.142111 -1.952132 2.148290
H -0.804996 0.994907 1.215961
H 0.814865 1.230808 -0.991457
H -5.143766 0.608914 0.899841
H 5.145212 0.697275 -0.790553
H -1.029855 1.516251 3.637346
H 1.041784 2.195320 -3.271854
H -5.356204 1.135062 3.358415
H 5.359430 1.674608 -3.106393
H -4.140519 1.131552 5.634763
H -2.400780 1.543101 5.693403
H -3.601809 2.788103 5.270781
H 2.440757 2.477701 -5.338768
H 3.505401 3.728010 -4.652458
H 4.210591 2.221453 -5.287502


