%chk=000188251.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188251

0 1
O -4.169589 0.673573 0.078968
O 2.255394 0.987141 -2.156836
O -4.008264 -0.653090 1.894194
N 4.877977 -0.270841 -0.104029
N 2.080453 -0.413209 -0.327099
C 4.272974 -0.106860 -1.461342
C 0.690347 -0.290943 -0.047990
C 2.785023 0.238023 -1.359834
C -2.029639 -0.154601 0.590817
C 0.195378 -0.987063 1.081089
C -0.179879 0.471756 -0.850026
C 5.128968 1.061278 0.522117
C 6.141524 -1.060978 -0.186430
C -1.157199 -0.914835 1.391148
C -1.531817 0.535180 -0.527190
C -3.455938 -0.108660 0.960684
C -5.611739 0.802134 0.335971
C -6.093820 1.721509 -0.765310
H 4.762056 0.674809 -2.088385
H 4.362450 -1.058572 -2.035735
H 2.634440 -0.975657 0.337719
H 0.861739 -1.576699 1.706453
H 0.204057 1.013615 -1.722425
H 4.181628 1.622643 0.584047
H 5.864069 1.690220 -0.001686
H 5.481406 0.907146 1.555337
H 6.545701 -1.191679 0.831652
H 6.929182 -0.614175 -0.811095
H 5.917191 -2.067936 -0.574245
H -1.556045 -1.447852 2.260365
H -2.217938 1.124793 -1.144002
H -6.049592 -0.209889 0.292261
H -5.735946 1.220881 1.349512
H -7.172532 1.901206 -0.688336
H -5.583731 2.693970 -0.727228
H -5.889886 1.298064 -1.758513


%chk=000188251-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188251

0 1
O -4.193553 0.667214 0.051599
O 2.378472 1.061644 -2.519579
O -3.816313 -0.520103 2.023427
N 4.814493 -0.341774 -0.135637
N 2.182225 -0.106107 -0.466561
C 4.375323 0.047059 -1.499007
C 0.804324 -0.043248 -0.164679
C 2.871816 0.409129 -1.553438
C -1.942854 0.008884 0.551621
C 0.361148 -0.664335 1.038502
C -0.138882 0.607242 -1.010133
C 5.150324 0.838193 0.700744
C 5.885074 -1.366179 -0.119568
C -0.996270 -0.637579 1.390392
C -1.497362 0.627278 -0.645921
C -3.368544 0.006827 0.971155
C -5.644317 0.709285 0.398445
C -6.345628 1.456018 -0.731782
H 4.940264 0.906245 -1.921152
H 4.525154 -0.806308 -2.187053
H 2.837594 -0.580714 0.186717
H 1.087383 -1.166456 1.689314
H 0.209555 1.080665 -1.930213
H 4.302702 1.545628 0.706021
H 6.052841 1.379852 0.332362
H 5.337172 0.516298 1.740099
H 6.084547 -1.671296 0.922899
H 6.843071 -1.004658 -0.561873
H 5.557186 -2.258501 -0.680568
H -1.350584 -1.111344 2.311622
H -2.228878 1.123996 -1.289324
H -6.006872 -0.328860 0.510127
H -5.754759 1.215735 1.374669
H -7.429858 1.515378 -0.524776
H -5.953770 2.483051 -0.828977
H -6.203822 0.936244 -1.694880


