%chk=000223059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223059

0 1
O -2.636189 0.000807 -2.769506
O -0.582591 -0.001475 -2.107400
N 0.013273 0.000020 0.559112
N -1.777792 -0.000029 -1.897681
C 0.821732 -1.157796 0.338246
C 0.822940 1.156965 0.338136
C 2.169250 -0.728891 0.081604
C 2.170009 0.726629 0.081523
C -1.419835 0.000794 0.631560
C 0.471192 -2.507653 0.397474
C 0.473803 2.507193 0.397197
C 3.163614 -1.685195 -0.111132
C 3.165361 1.681876 -0.111349
C -2.268318 0.000764 -0.497782
C -1.985151 0.001662 1.920146
C 1.492962 -3.439249 0.196970
C 1.496537 3.437703 0.196561
C 2.815907 -3.038188 -0.051172
C 2.819059 3.035237 -0.051553
C -3.665284 0.001570 -0.316731
C -3.370038 0.002446 2.082785
C -4.211858 0.002392 0.963577
H -0.549251 -2.822590 0.586649
H -0.546307 2.823215 0.586359
H 4.189486 -1.380480 -0.307366
H 4.190913 1.376071 -0.307562
H -1.324816 0.001702 2.792168
H 1.257113 -4.502903 0.231267
H 1.261793 4.501606 0.230734
H 3.581973 -3.795932 -0.203522
H 3.585911 3.792166 -0.204012
H -4.316530 0.001555 -1.201898
H -3.798390 0.003101 3.087730
H -5.294979 0.003005 1.093271


%chk=000223059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223059

0 1
O -2.847475 -0.000127 -2.849326
O -0.655977 -0.006424 -2.245375
N 0.018435 -0.000039 0.411555
N -1.908637 -0.002289 -1.958621
C 0.831285 -1.150855 0.285607
C 0.832480 1.150033 0.286274
C 2.192100 -0.730338 0.103163
C 2.192854 0.728220 0.103529
C -1.404256 0.000787 0.559634
C 0.462401 -2.509857 0.330054
C 0.464954 2.509389 0.331343
C 3.203218 -1.709613 -0.032394
C 3.204938 1.706548 -0.031679
C -2.333062 -0.000272 -0.524232
C -1.925928 0.003217 1.876186
C 1.490711 -3.467708 0.189285
C 1.494223 3.466272 0.190944
C 2.846511 -3.074485 0.010959
C 2.849610 3.071763 0.012343
C -3.727386 0.000815 -0.286187
C -3.315947 0.004291 2.120027
C -4.219285 0.003032 1.032803
H -0.579609 -2.818504 0.464030
H -0.576745 2.819016 0.465467
H 4.248982 -1.415037 -0.173859
H 4.250388 1.410987 -0.173412
H -1.210226 0.004149 2.704077
H 1.238415 -4.533731 0.215427
H 1.242999 4.532536 0.217585
H 3.619207 -3.843328 -0.096125
H 3.623072 3.839873 -0.094463
H -4.398811 -0.000047 -1.148640
H -3.688483 0.006025 3.149511
H -5.299457 0.003800 1.208907


