%chk=000230322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230322

0 1
O 6.165704 -0.215085 0.752469
O 6.218931 -0.329371 -1.532565
N 7.997954 0.615485 -0.342594
C -2.620800 -0.581381 0.311282
C -3.817368 0.288246 -0.097705
C -1.290415 0.140566 0.058083
C -5.147907 -0.433384 0.155680
C -0.093817 -0.729039 0.467040
C -6.344465 0.436348 -0.253113
C 1.235875 -0.005924 0.214115
C -7.675157 -0.285085 0.000132
C 2.432684 -0.875514 0.622797
C -8.871395 0.584722 -0.408607
C 3.757603 -0.148190 0.371173
C -10.203310 -0.135732 -0.155799
C 4.945081 -1.021153 0.764103
C -11.397568 0.725607 -0.560834
C 6.730831 0.029427 -0.489948
C 8.532062 1.311991 -1.540377
C 8.358146 1.228921 0.957884
H -2.642389 -1.537178 -0.247060
H -2.702992 -0.855391 1.380711
H -3.795845 1.244416 0.459812
H -3.735562 0.561607 -1.167435
H -1.208553 0.413853 -1.011778
H -1.269191 1.096807 0.615497
H -5.229849 -0.707233 1.225178
H -5.169681 -1.389274 -0.402403
H -0.176615 -1.003790 1.536211
H -0.115175 -1.684314 -0.092463
H -6.322906 1.392387 0.304634
H -6.262756 0.710018 -1.322732
H 1.256758 0.950643 0.771032
H 1.318395 0.267026 -0.856257
H -7.756950 -0.558906 1.069649
H -7.696823 -1.240942 -0.557968
H 2.412688 -1.828159 0.057178
H 2.347666 -1.152448 1.691528
H -8.791047 0.859168 -1.477950
H -8.851095 1.541006 0.148456
H 3.848568 0.131970 -0.700779
H 3.792091 0.805701 0.932860
H -10.225767 -1.091781 -0.714584
H -10.285870 -0.409221 0.914303
H 4.923873 -1.343369 1.820577
H 5.079450 -1.885774 0.091079
H -11.426813 1.665305 0.002280
H -11.366599 0.983194 -1.625598
H -12.343010 0.203325 -0.377011
H 8.242182 2.373104 -1.588295
H 8.168785 0.812260 -2.460470
H 9.632654 1.240394 -1.531668
H 9.455528 1.307277 1.030408
H 8.009091 0.578798 1.783960
H 7.918789 2.228663 1.101981


%chk=000230322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230322

0 1
O 6.292311 -0.137299 0.813643
O 6.439563 -0.461454 -1.513709
N 8.059051 0.782857 -0.350153
C -2.660719 -0.561360 0.249944
C -3.895040 0.306277 -0.083769
C -1.319610 0.187449 0.081214
C -5.235848 -0.439450 0.100741
C -0.086654 -0.682717 0.413355
C -6.471630 0.426073 -0.233210
C 1.252891 0.073834 0.270568
C -7.811652 -0.319657 -0.041913
C 2.484879 -0.800224 0.596744
C -9.048972 0.543847 -0.375527
C 3.817414 -0.023355 0.483870
C -10.387986 -0.204537 -0.184112
C 5.023869 -0.916243 0.801158
C -11.619602 0.665172 -0.516987
C 6.903698 0.031143 -0.446453
C 8.830383 1.054476 -1.571244
C 8.578057 1.335458 0.908912
H -2.661127 -1.463070 -0.397991
H -2.744526 -0.930264 1.293866
H -3.889482 1.212881 0.557396
H -3.817191 0.667057 -1.130864
H -1.235534 0.559385 -0.961382
H -1.318985 1.087098 0.732143
H -5.313202 -0.798850 1.148467
H -5.241063 -1.347068 -0.538926
H -0.180293 -1.068701 1.450256
H -0.077875 -1.573409 -0.249452
H -6.464752 1.335627 0.403716
H -6.397036 0.782162 -1.282179
H 1.245455 0.960335 0.938953
H 1.346871 0.465048 -0.763562
H -7.885816 -0.675455 1.007302
H -7.818109 -1.229545 -0.678420
H 2.504324 -1.672242 -0.089685
H 2.379196 -1.210912 1.623031
H -8.976732 0.900127 -1.424655
H -9.045017 1.453581 0.261250
H 3.930862 0.379722 -0.540059
H 3.808337 0.836950 1.181853
H -10.391573 -1.112205 -0.821956
H -10.458230 -0.561976 0.863694
H 4.964925 -1.332282 1.821581
H 5.116245 -1.731854 0.061403
H -11.658777 1.561276 0.131036
H -11.586547 1.013296 -1.566808
H -12.562581 0.105226 -0.376286
H 8.907245 2.144930 -1.748906
H 8.319563 0.583798 -2.424401
H 9.853698 0.639538 -1.486299
H 9.594447 0.943828 1.111492
H 7.914479 1.056001 1.737138
H 8.638098 2.440278 0.850279


