%chk=000191673.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191673

0 1
O -5.489611 0.245325 -0.174246
O 0.354574 1.958756 1.889292
O 3.932248 -3.133178 0.036820
O 3.110107 2.504829 -1.934031
O 1.964627 -2.471869 0.867212
O 4.358792 0.642729 -1.906515
N 2.845711 0.231742 0.645855
N -0.091060 -0.205295 1.186178
C 2.167399 0.381022 1.966538
C 3.848754 -0.868710 0.645146
C 3.411416 1.533934 0.190861
C 0.719369 0.817334 1.668071
C -1.474166 -0.078173 0.824329
C 3.093621 -2.175437 0.548242
C 3.693793 1.445547 -1.294436
C -2.103970 -1.204136 0.266040
C -2.199948 1.116192 1.028149
C -4.161692 0.037683 0.120793
C -3.454897 -1.151911 -0.088544
C -3.540329 1.176458 0.678386
C -6.245196 -0.861157 -0.761890
C -7.630302 -0.271808 -0.944849
H 2.629154 1.135864 2.641022
H 2.167351 -0.578947 2.531098
H 4.530267 -0.896362 1.524783
H 4.518187 -0.775491 -0.260677
H 4.339489 1.854710 0.716548
H 2.643336 2.337376 0.377735
H 0.355349 -1.110999 0.956374
H -1.547699 -2.127298 0.104783
H -1.703879 1.994849 1.459368
H -3.927699 -2.028754 -0.517363
H -4.123698 2.084179 0.824191
H -6.230728 -1.708240 -0.055084
H -5.769605 -1.140564 -1.717444
H 3.494979 -4.024005 -0.057949
H 3.263785 2.498525 -2.919889
H -8.048882 0.064142 0.014501
H -7.602868 0.612046 -1.597873
H -8.321180 -0.999809 -1.383326


%chk=000191673-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191673

0 1
O -5.408103 0.178749 -0.029326
O 0.318392 1.960490 2.839340
O 3.607946 -3.220952 -0.015975
O 3.177485 2.034301 -2.305633
O 1.565996 -2.160624 0.255162
O 2.880048 -0.237296 -1.916870
N 2.930755 0.275713 0.943995
N 0.112263 0.223258 1.247603
C 2.321115 0.686112 2.215258
C 3.673519 -0.969217 0.844985
C 3.191009 1.342681 -0.014609
C 0.807340 1.030937 2.121947
C -1.279953 0.230856 0.949666
C 2.814604 -2.133313 0.327960
C 3.050846 0.917925 -1.473862
C -1.759504 -0.748851 0.043291
C -2.194494 1.166566 1.510629
C -4.029445 0.133540 0.248870
C -3.123971 -0.803288 -0.309658
C -3.554018 1.111310 1.156856
C -5.948323 -0.822446 -0.966168
C -7.444703 -0.547784 -1.093127
H 2.805980 1.581416 2.657353
H 2.432988 -0.136719 2.946739
H 4.084075 -1.284015 1.827766
H 4.540680 -0.879097 0.166422
H 4.203832 1.803253 0.089308
H 2.470313 2.163592 0.154053
H 0.676080 -0.507563 0.775512
H -1.059294 -1.475739 -0.385082
H -1.827547 1.916453 2.214236
H -3.460755 -1.572334 -1.010905
H -4.269745 1.823520 1.579332
H -5.759316 -1.842073 -0.569731
H -5.437563 -0.726644 -1.947258
H 3.039581 -3.969547 -0.343751
H 3.096355 1.755997 -3.257921
H -7.940424 -0.636110 -0.111343
H -7.621251 0.470569 -1.479441
H -7.907892 -1.272526 -1.787423


