%chk=000232005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232005

0 1
S 3.412984 0.647117 1.555770
S -3.688151 -1.495889 -0.792522
O 4.331948 1.686517 1.955800
O 2.635542 -0.081960 2.531098
O -4.576584 -1.915550 -1.854364
O -2.983519 -2.461609 0.019372
N 2.319122 1.491700 0.508736
N -2.520440 -0.540612 -1.631979
N 1.039138 2.801001 -1.699668
N 1.229453 2.870365 -3.177101
N 2.284620 2.707364 -2.539428
C 1.109264 0.987386 -0.010144
C 0.512003 1.568252 -1.158798
C -1.304070 -0.050509 -1.087080
C -0.682802 1.049041 -1.691193
C 0.456505 -0.120486 0.588037
C -0.707957 -0.641342 0.055440
C 4.188585 -0.467018 0.496832
C -4.483582 -0.360147 0.229812
C 5.298409 -0.057815 -0.251488
C 3.715958 -1.780040 0.390203
C -5.652957 0.269031 -0.213032
C -3.970441 -0.072818 1.499313
C 5.929341 -0.958263 -1.114184
C 4.345635 -2.681067 -0.472556
C -6.303077 1.193413 0.608619
C -4.619081 0.852743 2.321827
C 5.450702 -2.268546 -1.225721
C -5.783567 1.486640 1.874852
H -1.121743 1.523973 -2.570630
H 2.540217 2.469591 0.256877
H 0.863205 -0.566464 1.507765
H -1.155230 -1.533807 0.517670
H -2.667226 -0.339268 -2.629059
H 5.680949 0.964875 -0.158100
H 2.857547 -2.108530 0.987247
H -6.066177 0.031686 -1.200223
H -3.065367 -0.575030 1.857978
H 6.792511 -0.639643 -1.697773
H 3.976396 -3.702855 -0.557140
H -7.213174 1.683373 0.264422
H -4.217250 1.078831 3.309359
H 5.941849 -2.971556 -1.900745
H -6.289387 2.210427 2.516197


%chk=000232005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232005

0 1
S 2.625628 -1.050865 0.846945
S -5.013608 -1.370895 0.229432
O 2.131842 -0.178288 2.132518
O 2.640943 -2.682803 0.917503
O -6.473281 -1.437101 -0.476230
O -4.530004 -2.407888 1.375277
N 1.646285 -0.420752 -0.702282
N -3.809233 -1.639460 -1.282454
N 0.191776 0.508228 -2.942786
N 3.369068 1.230225 -3.086793
N 4.487737 1.462885 -3.048061
C 0.382193 -0.811093 -0.791735
C -0.372465 -0.222661 -1.997493
C -2.457911 -1.282212 -1.150754
C -1.810422 -0.460379 -2.060707
C -0.358204 -1.701091 0.111086
C -1.699789 -1.923117 -0.063055
C 4.334492 -0.456911 0.329344
C -4.718050 0.392646 0.862043
C 4.717596 0.840685 0.703253
C 5.155865 -1.351033 -0.374983
C -5.523048 1.413290 0.329523
C -3.722130 0.590336 1.832375
C 6.011615 1.270536 0.328415
C 6.446065 -0.900600 -0.740061
C -5.301810 2.726596 0.804745
C -3.515719 1.913309 2.287814
C 6.866617 0.405397 -0.394634
C -4.299299 2.973242 1.773225
H -2.338130 0.027358 -2.887632
H 1.216606 0.635455 -2.788803
H 0.186292 -2.211040 0.911778
H -2.244064 -2.607316 0.597705
H -4.315009 -1.248989 -2.095752
H 4.038852 1.477075 1.279946
H 4.807871 -2.362538 -0.607842
H -6.305637 1.185348 -0.401503
H -3.147404 -0.250249 2.233714
H 6.348545 2.275728 0.601453
H 7.117371 -1.568894 -1.288830
H -5.912988 3.550050 0.421698
H -2.747693 2.108733 3.042689
H 7.866187 0.747531 -0.683166
H -4.133447 3.994023 2.133375


