%chk=000297899.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297899

0 1
S 0.453042 -1.182177 -0.474130
O -5.046177 0.753757 0.469344
O 0.549989 -1.558144 -1.897695
N 1.271523 0.345625 -0.196129
C -1.194287 -0.543533 -0.256872
C 2.677567 0.361941 -0.022079
C -2.110207 -0.634839 -1.303864
C -1.568689 -0.022707 0.987942
C -3.797128 0.300464 0.128982
C -3.430701 -0.214074 -1.123276
C -2.874471 0.404053 1.195489
C 3.382171 1.564014 -0.266509
C 3.369290 -0.770245 0.456107
C 4.752817 1.622207 -0.023258
C 4.743457 -0.687657 0.686292
C 5.441290 0.500868 0.452672
C -6.089713 0.703237 -0.535750
H -1.792376 -1.037160 -2.274748
H -0.839467 0.057185 1.798389
H 0.877195 1.200498 -0.601057
H -4.140582 -0.288872 -1.939419
H -3.201865 0.813576 2.148126
H 2.861127 2.439887 -0.641813
H 2.853941 -1.706742 0.648887
H 5.292987 2.550288 -0.209801
H 5.276942 -1.564608 1.053409
H 6.510449 0.552958 0.635874
H -6.278811 -0.331655 -0.834997
H -5.826503 1.335665 -1.388394
H -6.946711 1.117587 0.012174


%chk=000297899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297899

0 1
S 0.498225 -1.166891 -0.720539
O -5.183630 0.576775 0.543461
O 0.552494 -1.057557 -2.373727
N 1.303842 0.390631 0.178873
C -1.250046 -0.576992 -0.321527
C 2.730947 0.411811 0.184387
C -2.134529 -0.436690 -1.402450
C -1.652055 -0.344523 1.012011
C -3.889767 0.192120 0.178310
C -3.468910 -0.044871 -1.156278
C -2.979936 0.045403 1.260316
C 3.466851 1.394687 -0.534746
C 3.431367 -0.548247 0.967074
C 4.874693 1.435273 -0.443431
C 4.838706 -0.519479 1.027473
C 5.567878 0.475214 0.330066
C -6.174628 0.745348 -0.524910
H -1.763858 -0.622569 -2.418031
H -0.937345 -0.439695 1.835113
H 0.892122 1.214358 -0.299835
H -4.159547 0.067233 -1.996791
H -3.334974 0.244821 2.275485
H 2.932445 2.120696 -1.159953
H 2.861519 -1.294081 1.531879
H 5.430826 2.204562 -0.990731
H 5.369751 -1.264111 1.631007
H 6.661291 0.499534 0.388536
H -6.337103 -0.202113 -1.073707
H -5.869915 1.540161 -1.232535
H -7.100614 1.040587 -0.010908


