%chk=000291793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291793

0 1
O 3.619637 -1.357531 -0.000751
O -3.610212 -1.380332 -0.000115
O 6.424456 2.752495 -0.000732
O -6.440813 2.711948 0.000363
O 4.411232 3.741329 0.000750
O -4.433848 3.713422 0.000244
N 1.445310 -0.566505 0.000164
N -1.440876 -0.575669 -0.000006
C 0.722267 -1.809613 0.000049
C -0.709967 -1.814176 -0.000024
C 1.407483 -3.033435 0.000018
C -1.387381 -3.042342 -0.000111
C 0.710764 -4.243793 -0.000079
C -0.682953 -4.248241 -0.000145
C 2.846032 -0.420819 -0.000275
C -2.842487 -0.438792 -0.000115
C 3.291025 1.013211 -0.000011
C -3.296498 0.992413 0.000165
C 4.593762 1.305720 -0.000186
C -4.601050 1.276714 -0.000067
C 5.052921 2.716658 0.000024
C -5.069080 2.684733 0.000214
H 2.505554 -3.052511 0.000057
H -2.485301 -3.068445 -0.000176
H 0.879945 0.281669 0.000613
H -0.880875 0.276042 0.000070
H 1.265474 -5.181982 -0.000102
H -1.231669 -5.189945 -0.000231
H 2.525998 1.795952 0.000290
H -2.536407 1.779946 0.000572
H 5.383959 0.538571 -0.000520
H -5.386402 0.504606 -0.000454
H 6.784304 3.683563 -0.000618
H -6.806504 3.640738 0.000526


%chk=000291793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291793

0 1
O 3.703463 -1.387804 -0.005684
O -3.693383 -1.411203 0.005240
O 6.204249 3.021562 -0.000553
O -6.222414 2.982104 0.000668
O 4.006012 3.794378 0.005475
O -4.029180 3.769010 -0.004993
N 1.440433 -0.686072 0.000444
N -1.434956 -0.694986 -0.000548
C 0.727764 -1.920384 -0.000262
C -0.714617 -1.924811 0.000127
C 1.424595 -3.157729 -0.000943
C -1.403807 -3.166422 0.000781
C 0.719952 -4.376607 -0.000625
C -0.691666 -4.380937 0.000434
C 2.831014 -0.469088 -0.001804
C -2.826881 -0.486876 0.001482
C 3.182833 0.982209 0.000760
C -3.187995 0.962149 -0.000785
C 4.480913 1.392158 -0.000867
C -4.488670 1.363786 0.000841
C 4.816352 2.834921 0.001728
C -4.833352 2.804377 -0.001460
H 2.515085 -3.139202 -0.001557
H -2.494397 -3.154609 0.001366
H 0.902805 0.180935 0.004112
H -0.902821 0.175403 -0.003972
H 1.279409 -5.317487 -0.001057
H -1.245345 -5.325230 0.000840
H 2.390889 1.745631 0.004050
H -2.400963 1.730641 -0.003850
H 5.298132 0.663904 -0.004105
H -5.301219 0.630321 0.003860
H 6.407971 3.996172 0.001255
H -6.432406 3.955386 -0.000998


