%chk=000205963.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205963

0 1
O -1.840033 -1.202551 2.230949
O 2.766081 1.628672 -2.160036
O 0.829141 1.546789 1.524826
O -2.830873 1.370951 -0.072587
O -3.398553 -0.857756 0.141589
O 4.370889 0.231747 0.551911
O 3.011098 -1.199163 -0.675880
N -0.553240 -0.108458 0.590554
N 1.138022 0.814676 -0.690097
C -0.689245 -0.760667 -0.748531
C 0.530911 -0.248934 -1.554059
C 0.509243 0.833865 0.592757
C -1.676692 0.012910 1.524278
C 2.558951 1.176718 -0.819189
C -3.064174 0.333094 0.866192
C 3.652906 0.074755 -0.659335
C -3.975128 2.178488 -0.415535
C -4.803178 -1.085228 -0.082354
C 3.618979 0.074517 1.778057
C 3.925314 -2.318938 -0.702923
H -0.669083 -1.860676 -0.618344
H -1.656384 -0.485929 -1.230861
H 0.233265 0.208936 -2.518018
H 1.257384 -1.065437 -1.769565
H -1.427099 0.761742 2.327059
H 2.773063 2.020004 -0.103416
H -3.838420 0.590426 1.610878
H 4.446977 0.161914 -1.434842
H -2.072934 -1.945256 1.620004
H 2.090785 2.299353 -2.410890
H -3.540190 2.921513 -1.098000
H -4.385205 2.665512 0.473309
H -4.725542 1.570611 -0.930526
H -5.215516 -0.293878 -0.716985
H -5.336788 -1.159843 0.869552
H -4.811323 -2.047951 -0.609388
H 2.994255 0.961353 1.949003
H 4.406928 -0.004564 2.533659
H 3.006949 -0.832096 1.739438
H 4.396236 -2.383284 -1.687648
H 4.672977 -2.219563 0.091891
H 3.265245 -3.173576 -0.518495


%chk=000205963-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205963

0 1
O -2.128417 -0.869598 2.348951
O 2.532135 1.569582 -1.977923
O 0.675148 1.677864 1.524942
O -2.919555 1.551343 -0.304648
O -3.739077 -0.679153 0.180078
O 4.431568 0.096680 0.774908
O 3.588755 -1.148930 -1.115955
N -0.761565 0.046543 0.545545
N 1.310130 0.301565 -0.314548
C -0.766506 -0.813009 -0.658708
C 0.734707 -0.826215 -1.084630
C 0.429893 0.770977 0.675509
C -1.869628 0.258804 1.444961
C 2.543288 0.997891 -0.613598
C -3.203412 0.590927 0.721512
C 3.849065 0.167439 -0.556094
C -4.108160 2.139014 -0.938199
C -5.181985 -0.885540 0.387563
C 3.560496 -0.471304 1.826994
C 4.825269 -1.889769 -1.409518
H -1.131138 -1.827600 -0.425080
H -1.424074 -0.376067 -1.432230
H 0.873251 -0.663149 -2.165545
H 1.238553 -1.767386 -0.811696
H -1.579529 1.096170 2.100638
H 2.625322 1.799455 0.148590
H -3.938032 0.993045 1.457121
H 4.622072 0.699874 -1.142561
H -2.621522 -1.548728 1.812114
H 1.818439 2.256863 -2.015070
H -3.743922 2.994317 -1.526984
H -4.832000 2.495968 -0.175969
H -4.600441 1.410297 -1.609474
H -5.786193 -0.157522 -0.186539
H -5.447381 -0.818278 1.461213
H -5.396068 -1.901428 0.020071
H 2.783028 0.252013 2.134994
H 4.231608 -0.677849 2.675266
H 3.086992 -1.410097 1.484165
H 5.425076 -1.359175 -2.176331
H 5.432968 -2.022267 -0.495519
H 4.506842 -2.868770 -1.799913


