%chk=000231719.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231719

0 1
S 3.267378 0.587474 -0.400630
O -1.418307 -2.876102 -0.465990
O -4.167433 0.758943 0.226044
O 5.656955 0.466861 -0.609766
N 0.620138 1.303355 -0.030981
N -1.919608 1.206182 0.130364
N -2.777201 -1.066160 -0.117022
N 0.965687 -0.935568 -0.406604
C -0.636417 0.690876 -0.036083
C -0.404853 -0.696116 -0.253643
C 1.560997 0.254389 -0.276251
C -1.466902 -1.681193 -0.303089
C -3.045727 0.305649 0.085255
C 0.934668 2.723123 0.149130
C -2.185040 2.651106 0.307090
C -3.978162 -1.948333 -0.144050
C 3.943337 -1.047135 0.075715
C 5.429827 -0.738527 0.150666
H 0.738069 3.295565 -0.776130
H 0.351060 3.160391 0.978651
H 2.006791 2.854978 0.404716
H -1.719548 3.026674 1.232993
H -3.282389 2.818558 0.393280
H -1.828225 3.228548 -0.561060
H -4.661799 -1.645994 -0.955498
H -4.523823 -1.887316 0.812812
H -3.667223 -2.997593 -0.311630
H 3.517370 -1.405440 1.030197
H 3.674484 -1.807527 -0.682428
H 6.063867 -1.559440 -0.223436
H 5.758176 -0.450682 1.170034
H 5.707254 0.261354 -1.573056


%chk=000231719-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231719

0 1
S 3.293866 1.135286 -1.095684
O -0.995793 -2.837507 -0.559619
O -4.021334 0.522224 0.735003
O 5.316845 -0.357896 1.040553
N 0.623274 1.541323 -0.279442
N -1.818086 1.192566 0.284309
N -2.490155 -1.124854 0.088437
N 1.137941 -0.635778 -0.788702
C -0.545680 0.789720 -0.100394
C -0.210642 -0.542225 -0.407386
C 1.606620 0.610195 -0.708847
C -1.182672 -1.613653 -0.322523
C -2.846764 0.202957 0.387811
C 0.873793 2.980330 -0.089733
C -2.196360 2.582112 0.613166
C -3.583691 -2.118074 0.209730
C 4.073728 -0.596944 -1.131354
C 4.370169 -1.160873 0.262225
H 0.489745 3.575321 -0.936357
H 0.424598 3.337939 0.848213
H 1.963695 3.129946 -0.020514
H -1.724187 2.914988 1.554162
H -3.288248 2.585336 0.750665
H -1.930759 3.267535 -0.208371
H -4.409636 -1.857706 -0.472088
H -3.974155 -2.128085 1.240415
H -3.159801 -3.098179 -0.052829
H 3.353067 -1.240779 -1.662110
H 4.985980 -0.465725 -1.739941
H 4.735272 -2.204923 0.138209
H 3.449810 -1.191133 0.864570
H 6.192960 -0.342545 0.578024


