%chk=000230578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230578

0 1
S 4.602424 0.131367 0.054342
O 4.983648 1.521712 -0.080040
O 5.107270 -0.691125 1.132400
O -5.041802 1.776827 0.333458
N -1.340267 -0.243284 -0.050691
N -1.933191 -1.490189 -0.222837
N -4.871807 0.608704 0.141220
N 5.099357 -0.635811 -1.399793
C 0.099162 -0.154698 -0.039359
C -2.297902 0.760236 0.114999
C -3.555394 0.113014 0.032040
C -3.272097 -1.297325 -0.185155
C 2.876635 0.016836 0.012627
C 0.732689 0.963793 -0.608205
C 0.846219 -1.194423 0.542790
C 2.126560 1.041096 -0.571812
C 2.237783 -1.098598 0.564903
C -2.024166 2.182393 0.356077
C -4.255612 -2.383336 -0.344454
H 0.158657 1.751407 -1.093814
H 0.340464 -2.070141 0.960561
H 2.629524 1.917101 -1.001179
H 2.827245 -1.898649 1.030887
H -1.153553 2.360872 1.005432
H -1.867061 2.737690 -0.584644
H -2.900695 2.665446 0.841011
H -4.919713 -2.190373 -1.204373
H -3.781403 -3.365232 -0.499219
H -4.907116 -2.458468 0.543016
H 5.531743 -0.066002 -2.123770
H 5.593799 -1.523037 -1.334419


%chk=000230578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230578

0 1
S 4.696693 0.066159 0.048494
O 5.114602 1.639024 -0.020680
O 5.193763 -0.955140 1.215331
O -5.075277 1.859785 0.189351
N -1.381734 -0.193777 -0.047376
N -1.952277 -1.503515 -0.170300
N -4.923958 0.572213 0.095592
N 5.202781 -0.675238 -1.557272
C 0.047082 -0.110730 -0.039240
C -2.338240 0.795714 0.078685
C -3.589769 0.109722 0.008066
C -3.287034 -1.299267 -0.141316
C 2.819512 -0.018229 -0.009604
C 0.715993 1.023668 -0.564549
C 0.779607 -1.206822 0.484290
C 2.124536 1.076351 -0.544031
C 2.186308 -1.161886 0.503414
C -2.082044 2.248458 0.338495
C -4.252458 -2.438529 -0.262406
H 0.154955 1.844895 -1.015581
H 0.236275 -2.076366 0.859724
H 2.667145 1.947444 -0.923820
H 2.775709 -1.979432 0.929805
H -1.135425 2.414497 0.879593
H -2.054096 2.830822 -0.602734
H -2.926135 2.654262 0.917547
H -4.888755 -2.318743 -1.156808
H -3.707918 -3.393370 -0.333792
H -4.930273 -2.468395 0.608440
H 5.735640 0.036359 -2.084475
H 5.746188 -1.532129 -1.360843


