%chk=000226024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226024

0 1
O 1.130392 -1.088483 -1.606871
O 3.597499 -0.026477 -1.795306
O -0.472855 2.570487 0.206419
O 5.245506 0.232452 1.194771
O -6.322141 0.042460 -0.857909
C 1.259392 -1.085806 -0.153226
C 2.095844 0.206731 0.155562
C -0.156041 -0.993772 0.443128
C -0.881430 0.219207 -0.194281
C 3.503301 -0.221551 -0.385840
C 2.184085 -2.249669 0.239138
C -2.320814 0.405839 0.381672
C 1.422679 1.377130 -0.557867
C 3.609470 -1.734229 -0.048279
C -0.964083 -2.276430 0.202853
C -0.029903 1.493389 -0.124308
C 2.189099 0.488633 1.657970
C -3.084751 -0.919703 0.334195
C -2.362082 -2.150243 0.811534
C -3.044372 1.466376 -0.493022
C 4.675084 0.607929 0.196183
C -2.279073 0.863638 1.848448
C -4.549417 1.521600 -0.251873
C -4.371262 -1.002074 -0.038362
C -5.191171 0.163217 -0.436019
C 5.021202 1.859725 -0.535358
H -0.069755 -0.826324 1.547349
H -0.982916 -0.003260 -1.295072
H 1.965044 -3.166653 -0.330804
H 2.064863 -2.514415 1.304566
H 1.474121 1.236308 -1.662337
H 1.952647 2.330981 -0.364837
H 4.276372 -1.890415 0.822504
H 4.077000 -2.270770 -0.892277
H -0.443227 -3.148166 0.643618
H -1.049610 -2.482621 -0.882593
H 2.767450 -0.277728 2.192406
H 2.690690 1.446473 1.854051
H 1.203346 0.553320 2.134149
H -2.299042 -2.111626 1.921576
H -2.946910 -3.067627 0.588514
H -2.855153 1.261945 -1.564884
H -2.600500 2.467908 -0.294260
H 0.821097 -1.959297 -1.922424
H -1.698399 0.185502 2.479467
H -1.826657 1.864575 1.929612
H -3.286492 0.934327 2.274359
H 2.833999 -0.489744 -2.250198
H -5.025057 2.259552 -0.930724
H -4.775316 1.887365 0.771579
H -4.911423 -1.950241 -0.067949
H 5.081760 1.676396 -1.624764
H 4.255316 2.635419 -0.398415
H 5.982693 2.275041 -0.202461


%chk=000226024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226024

0 1
O 1.181738 -1.168951 -1.622248
O 3.573183 -0.044651 -1.896929
O -0.419591 2.626683 0.473819
O 5.268037 0.331090 1.196952
O -6.410501 0.033487 -0.988414
C 1.285058 -1.082143 -0.113742
C 2.123052 0.212283 0.157770
C -0.149973 -1.005876 0.456195
C -0.892757 0.261036 -0.104963
C 3.541001 -0.216930 -0.441040
C 2.216675 -2.222295 0.349101
C -2.367178 0.430200 0.431312
C 1.423059 1.412127 -0.526354
C 3.652111 -1.726795 -0.024723
C -0.974842 -2.278330 0.155982
C -0.010380 1.532017 0.000610
C 2.247969 0.495711 1.679481
C -3.113229 -0.911637 0.286715
C -2.395360 -2.164516 0.754307
C -3.083120 1.521404 -0.428778
C 4.714254 0.632921 0.105222
C -2.387221 0.824653 1.945401
C -4.616139 1.539960 -0.259894
C -4.398875 -0.995928 -0.183132
C -5.233842 0.173064 -0.533152
C 5.154893 1.823771 -0.719447
H -0.067070 -0.921210 1.557775
H -0.961586 0.076295 -1.202365
H 1.964415 -3.184163 -0.134532
H 2.115839 -2.375880 1.438772
H 1.402313 1.260017 -1.621245
H 1.941965 2.362731 -0.315345
H 4.343511 -1.822848 0.829015
H 4.079338 -2.285304 -0.874458
H -0.467597 -3.168975 0.573935
H -1.066281 -2.425133 -0.940231
H 2.804097 -0.291910 2.212864
H 2.797792 1.439071 1.838402
H 1.260430 0.619560 2.155970
H -2.306024 -2.139601 1.861244
H -2.993738 -3.059178 0.505399
H -2.852440 1.331620 -1.497399
H -2.664502 2.508578 -0.175921
H 0.859147 -2.072999 -1.862075
H -1.831804 0.101198 2.569788
H -1.934994 1.819706 2.079791
H -3.424278 0.853147 2.323855
H 2.745298 -0.502831 -2.228620
H -5.084991 2.283181 -0.928596
H -4.889188 1.833556 0.774582
H -4.891938 -1.972716 -0.278234
H 5.582789 1.465824 -1.673495
H 4.290987 2.450977 -1.003670
H 5.900587 2.411533 -0.162156


