%chk=000293412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293412

0 1
S -2.788768 -2.038864 -1.700159
S 1.993826 -1.697822 1.529835
O 0.649496 -0.769798 -2.038166
O -0.318946 1.060975 2.549026
N -1.037373 0.288649 -0.924603
N 1.215834 1.140790 0.867921
C -0.312803 1.575602 -1.114051
C 0.352670 2.129212 0.164238
C -2.340952 0.294973 -0.333363
C 2.385313 0.656949 0.194891
C -0.397523 -0.879156 -1.429171
C 0.705249 0.600012 2.077197
C -3.265261 -0.721271 -0.654206
C 2.862182 -0.646564 0.435102
C -1.071696 -2.196407 -1.176443
C 1.503954 -0.473875 2.758805
C -2.742342 1.310821 0.556587
C 3.089875 1.486477 -0.699740
C -4.566286 -0.701435 -0.152414
C 3.997507 -1.129781 -0.213842
C -4.045925 1.329881 1.051365
C 4.221542 0.994395 -1.351991
C -4.966329 0.339034 0.689022
C 4.676875 -0.308086 -1.117439
H 0.470474 1.414467 -1.902584
H -1.019432 2.337744 -1.514192
H 0.958454 3.026022 -0.096931
H -0.441015 2.475212 0.884363
H -0.584596 -3.001518 -1.770023
H -0.980886 -2.503271 -0.113053
H 2.378503 -0.049231 3.293991
H 0.886194 -0.976204 3.537226
H -2.024609 2.060378 0.904698
H 2.757195 2.504441 -0.890453
H -5.269171 -1.495219 -0.411987
H 4.353588 -2.143827 -0.022652
H -4.345766 2.122422 1.738166
H 4.756089 1.635376 -2.054139
H -5.982619 0.369326 1.075285
H 5.555978 -0.681430 -1.638619


%chk=000293412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293412

0 1
S -2.982371 -2.220931 -1.579750
S 2.503676 -1.926983 1.487555
O 0.632486 -1.020238 -1.632713
O -0.137356 0.590365 2.721890
N -1.157027 0.205630 -0.753492
N 1.329285 0.907752 0.922365
C -0.346701 1.437922 -0.919976
C 0.381686 1.904806 0.367628
C -2.532341 0.301595 -0.348124
C 2.548197 0.604035 0.220514
C -0.517145 -1.002537 -1.103635
C 0.957630 0.314413 2.143904
C -3.487295 -0.705397 -0.686969
C 3.186234 -0.663418 0.352910
C -1.269368 -2.284736 -0.794030
C 1.950088 -0.655083 2.765560
C -3.001141 1.455528 0.336824
C 3.121705 1.551346 -0.667529
C -4.853086 -0.537108 -0.371072
C 4.333117 -0.974224 -0.405844
C -4.366816 1.623217 0.639328
C 4.266213 1.236122 -1.427333
C -5.304161 0.630269 0.279933
C 4.872306 -0.033638 -1.308859
H 0.395742 1.221964 -1.706883
H -1.003032 2.254722 -1.268880
H 0.907409 2.851185 0.146364
H -0.336047 2.103933 1.177945
H -0.728090 -3.126857 -1.244790
H -1.388074 -2.437904 0.291752
H 2.845450 -0.134297 3.146326
H 1.447804 -1.192652 3.580975
H -2.297792 2.230003 0.648391
H 2.674150 2.543495 -0.776338
H -5.559858 -1.331004 -0.635508
H 4.802421 -1.956110 -0.283626
H -4.692018 2.525349 1.167883
H 4.681620 1.985153 -2.109738
H -6.366156 0.751195 0.515682
H 5.757158 -0.287482 -1.901144


