%chk=000299079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299079

0 1
O 1.180851 4.407106 0.496807
O -2.527245 2.751794 -0.889920
O -0.481480 2.169220 -0.543153
O -5.766905 -2.457652 -0.409892
O -6.139629 -0.359646 -0.787834
N 0.984426 -1.395306 0.184520
N 0.156953 -0.298542 0.001606
N -1.688907 1.905728 -0.644398
N -5.400537 -1.301693 -0.551300
C 4.115563 -2.536597 -0.479123
C 5.057844 -1.359881 -0.190918
C 3.101298 -0.127204 0.806486
C 2.976694 -2.621284 0.543309
C 4.406095 -0.159905 0.442760
C 2.242561 -1.292935 0.517399
C 2.507336 1.026474 1.567528
C 2.247164 2.233630 0.660988
C 5.328600 0.990794 0.681842
C 1.579335 3.387692 1.417234
C -1.185193 -0.539705 -0.163239
C -2.099547 0.533240 -0.455498
C -1.731852 -1.866794 -0.024741
C -3.484192 0.263212 -0.578622
C -3.070139 -2.105233 -0.150207
C -3.965638 -1.025152 -0.426766
H 4.687065 -3.484840 -0.484856
H 3.688520 -2.435915 -1.498366
H 5.877299 -1.697830 0.482598
H 5.560732 -1.056075 -1.134191
H 2.305377 -3.474113 0.310470
H 3.365299 -2.808010 1.565064
H 1.576157 0.719246 2.086159
H 3.194143 1.318415 2.392118
H 1.610728 1.940552 -0.205955
H 3.195401 2.587146 0.202518
H 6.278537 0.909948 0.138843
H 4.867373 1.948562 0.376620
H 5.574915 1.087696 1.750522
H 2.283135 3.916159 2.086324
H 0.698515 3.053290 1.993669
H 0.551744 0.675608 -0.114168
H 0.470466 4.063432 -0.102565
H -1.038188 -2.690573 0.181320
H -4.177339 1.096464 -0.798965
H -3.488234 -3.115323 -0.043923


%chk=000299079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299079

0 1
O 1.197421 4.532915 0.121213
O -2.794733 2.812424 -0.639394
O -0.604801 2.238496 -0.372778
O -5.825199 -2.664616 -0.317077
O -6.304423 -0.446065 -0.591299
N 0.946655 -1.381873 0.085091
N 0.095187 -0.277623 0.016580
N -1.885576 1.921678 -0.451204
N -5.475259 -1.421695 -0.413834
C 4.228301 -2.449209 -0.666690
C 5.177865 -1.436759 0.000710
C 3.098623 -0.124572 0.726636
C 2.965101 -2.620523 0.202066
C 4.477894 -0.243800 0.632501
C 2.253254 -1.276514 0.324452
C 2.485575 1.124439 1.362223
C 2.356001 2.337389 0.397766
C 5.417851 0.802400 1.207671
C 1.701054 3.557624 1.086880
C -1.258171 -0.521548 -0.108395
C -2.242117 0.521405 -0.318990
C -1.748200 -1.870564 -0.019608
C -3.621307 0.219199 -0.415651
C -3.102281 -2.165529 -0.120177
C -4.039212 -1.109107 -0.314541
H 4.736756 -3.420873 -0.803844
H 3.933685 -2.089067 -1.670763
H 5.772907 -1.938689 0.795890
H 5.926466 -1.065184 -0.727939
H 2.267599 -3.355225 -0.230984
H 3.257719 -2.978541 1.210272
H 1.494237 0.890664 1.795498
H 3.111177 1.429322 2.222829
H 1.754902 2.066655 -0.491001
H 3.348779 2.619548 0.000885
H 6.445828 0.659012 0.833398
H 5.110410 1.834018 0.966612
H 5.458059 0.730016 2.313601
H 2.441178 4.107252 1.694994
H 0.886590 3.214290 1.762396
H 0.398063 0.708301 -0.070947
H 0.398838 4.128812 -0.312601
H -1.005108 -2.654958 0.128871
H -4.343433 1.024786 -0.571513
H -3.469054 -3.192911 -0.051702


