%chk=000269223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269223

0 1
S -4.997006 0.955348 -0.039956
S 5.216508 2.127635 -0.014974
O -5.359197 1.304434 -1.396890
O -5.930333 0.281057 0.838899
N 1.353215 -1.194473 0.229717
N 2.853654 0.052747 1.444000
N 2.038369 -0.465992 -2.068917
N 3.904090 1.112693 -2.011018
N -4.605750 2.436740 0.739276
C 0.218758 -2.081204 -0.076145
C -1.086945 -1.315447 -0.059427
C 2.111679 -0.475927 -0.700040
C 3.062770 0.296294 0.077000
C -1.387195 -0.435273 -1.108203
C -1.995028 -1.497165 0.993092
C -3.500156 0.088344 -0.049130
C 1.837329 -0.816485 1.519390
C -2.595773 0.265703 -1.100670
C -3.202897 -0.793955 0.993497
C 3.964956 1.097960 -0.659598
C 2.957974 0.342100 -2.653822
C 5.110427 1.959289 1.769238
H 0.209962 -2.928318 0.649115
H 0.379927 -2.537482 -1.089800
H -0.676318 -0.296189 -1.928299
H -1.770388 -2.182567 1.808207
H 1.410742 -1.217350 2.429635
H -2.835014 0.944548 -1.927728
H -3.920112 -0.944716 1.809271
H 2.957255 0.397422 -3.755841
H -4.622182 3.291324 0.186758
H -5.013970 2.623226 1.652570
H 5.275810 0.925638 2.106270
H 4.132482 2.269607 2.165194
H 5.885858 2.599635 2.210032


%chk=000269223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269223

0 1
S -5.169389 0.962643 -0.118463
S 5.396939 2.104705 -0.087099
O -5.463340 1.382291 -1.664265
O -6.210822 0.111787 0.801410
N 1.407080 -1.150304 0.292247
N 3.000368 0.006665 1.476092
N 1.974013 -0.426214 -1.998765
N 3.886456 1.100367 -2.039570
N -4.827666 2.523455 0.794204
C 0.253863 -2.026444 -0.011037
C -1.079991 -1.284508 -0.025774
C 2.151501 -0.439139 -0.651170
C 3.147158 0.276423 0.096415
C -1.376807 -0.393169 -1.090136
C -2.032450 -1.495544 1.001037
C -3.512026 0.069368 -0.073815
C 1.958701 -0.838411 1.543187
C -2.606021 0.297944 -1.121925
C -3.269982 -0.813849 0.987913
C 4.036023 1.073243 -0.679039
C 2.892269 0.371834 -2.624878
C 5.371074 1.894435 1.787271
H 0.241687 -2.839049 0.735695
H 0.454046 -2.470596 -1.002244
H -0.642055 -0.249144 -1.890657
H -1.816315 -2.198582 1.814113
H 1.563668 -1.258817 2.466102
H -2.867029 0.969999 -1.945490
H -4.031237 -0.980282 1.756618
H 2.825888 0.434247 -3.714442
H -4.973300 3.314257 0.144908
H -5.447162 2.552632 1.620935
H 5.531749 0.843547 2.058777
H 4.414559 2.239470 2.199815
H 6.202054 2.523943 2.142731


