%chk=000257007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257007

0 1
S 1.216654 1.234859 0.670843
O -2.688186 -1.635542 1.790520
O -3.146160 1.696574 0.449651
O -3.274916 -0.082244 -1.099250
O -0.780844 -2.076187 0.507562
O 1.964349 2.227306 1.402322
O 0.730322 1.516974 -0.665274
N -0.158635 0.895787 1.670216
C -2.693132 0.700689 1.340106
C -1.261833 0.166859 1.037107
C -3.556424 -0.589905 1.285601
C -1.303987 -1.291381 1.576566
C -3.986740 -0.902188 -0.154221
C -3.392218 1.335516 -0.945631
C -4.795100 1.845350 -1.236478
C -2.288198 1.913397 -1.804533
C 2.016439 -0.329234 0.680971
C -0.853370 -3.503660 0.709275
C 3.217625 -0.333935 -0.210150
C 4.498430 -0.513655 0.333647
C 3.063986 -0.179439 -1.598000
C 5.615110 -0.543076 -0.507256
C 4.184287 -0.210015 -2.430274
C 5.461255 -0.394590 -1.888455
H -2.760471 1.222423 2.320805
H -1.147820 0.124282 -0.094216
H -4.405609 -0.597193 1.996176
H -0.795721 -1.515411 2.528778
H -3.663817 -1.921582 -0.453523
H -5.070809 -0.780811 -0.306144
H -0.459444 1.609317 2.344006
H -4.807698 2.939575 -1.322315
H -5.172558 1.427263 -2.177328
H -5.497800 1.586398 -0.436269
H -1.292055 1.512000 -1.526697
H -2.436427 1.686026 -2.865750
H -2.215290 3.001072 -1.682067
H 2.285886 -0.636028 1.715552
H 1.310848 -1.143934 0.358278
H -0.530382 -3.901328 -0.260001
H -1.885282 -3.798916 0.929924
H -0.173242 -3.803223 1.510598
H 4.629625 -0.622399 1.408252
H 2.070589 -0.014352 -2.025377
H 6.608143 -0.679416 -0.081413
H 4.061445 -0.085653 -3.505671
H 6.331975 -0.417370 -2.540563


%chk=000257007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257007

0 1
S 1.173358 1.175118 0.458980
O -2.777189 -1.920931 1.309338
O -3.288198 1.702219 0.681287
O -3.525501 0.185775 -1.218533
O -0.564307 -2.210219 0.389242
O 1.863482 2.489784 1.122088
O 0.700656 1.193099 -1.104798
N -0.310694 0.797327 1.590240
C -2.798770 0.495020 1.328114
C -1.372744 0.016752 0.917104
C -3.681109 -0.762424 1.081785
C -1.364738 -1.464680 1.332323
C -4.277378 -0.731949 -0.342562
C -3.587500 1.591999 -0.800462
C -4.986037 2.204795 -0.970599
C -2.512198 2.327477 -1.600724
C 2.260694 -0.474337 0.784034
C -0.501024 -3.650650 0.697671
C 3.441383 -0.499839 -0.115092
C 4.685582 0.040594 0.310205
C 3.331964 -1.057265 -1.418676
C 5.805419 0.007462 -0.546297
C 4.453371 -1.088847 -2.272907
C 5.692131 -0.559947 -1.837923
H -2.798542 0.752746 2.402949
H -1.285834 0.054551 -0.187447
H -4.487055 -0.855944 1.830803
H -0.981758 -1.622912 2.362896
H -4.177982 -1.722861 -0.812425
H -5.347559 -0.448044 -0.308928
H -0.628384 1.752627 1.853279
H -4.971610 3.247295 -0.610989
H -5.271682 2.197916 -2.036303
H -5.747689 1.660928 -0.386917
H -1.514941 1.878937 -1.461824
H -2.761150 2.292917 -2.675766
H -2.472730 3.382057 -1.279736
H 2.473991 -0.350274 1.855921
H 1.491490 -1.240298 0.590417
H 0.184479 -4.088204 -0.043736
H -1.502747 -4.104820 0.606315
H -0.108896 -3.819897 1.721828
H 4.767670 0.490225 1.306602
H 2.365950 -1.448086 -1.757503
H 6.761386 0.425337 -0.212892
H 4.363482 -1.517063 -3.277012
H 6.562259 -0.584462 -2.503471


