%chk=000203174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203174

0 1
O -3.811435 -0.079830 -1.010304
O 3.002788 -0.724075 -0.884509
O -2.017198 2.299699 1.980529
O -4.131948 1.393482 0.679903
N 7.050602 -0.277171 0.336985
N 2.285809 0.760923 0.732074
C 8.025858 -1.406405 0.229885
C -7.336820 -1.406118 -0.575647
C -5.877258 -1.101716 -0.222095
C 5.701855 -0.591162 -0.214009
C -7.969027 -2.361601 0.446540
C 4.685856 0.322817 0.500548
C -5.259679 -0.142203 -1.232859
C 8.348147 -1.801559 -1.220795
C 9.302042 -0.990789 0.974036
C 3.284191 0.033921 0.017164
C -9.423166 -2.673089 0.101163
C 0.883302 0.716761 0.511479
C -1.913338 0.701606 0.149178
C 0.082913 1.519647 1.339314
C -1.309097 1.505900 1.151778
C -3.358542 0.724884 -0.002128
C 0.297921 -0.093015 -0.494285
C -1.073763 -0.092748 -0.663065
H 7.570505 -2.288751 0.753860
H -7.400088 -1.848477 -1.588762
H -7.920865 -0.465610 -0.616763
H -5.283215 -2.036577 -0.181772
H -5.809646 -0.660802 0.795173
H 5.441919 -1.655658 -0.016697
H 5.625101 -0.452028 -1.314673
H 7.425642 0.565469 -0.108920
H -7.912056 -1.918590 1.460683
H -7.385870 -3.302219 0.494764
H 4.946030 1.388350 0.329881
H 4.780706 0.171422 1.599119
H -5.290500 -0.515702 -2.272094
H -5.676495 0.877891 -1.166636
H 7.460778 -2.159981 -1.752498
H 9.089415 -2.607888 -1.253073
H 8.761271 -0.965377 -1.793689
H 9.995780 -1.832997 1.063744
H 9.833361 -0.178355 0.467847
H 9.066927 -0.643418 1.989066
H -10.038256 -1.765996 0.084352
H -9.513412 -3.148925 -0.881896
H -9.866478 -3.354482 0.836370
H 2.592952 1.380205 1.489748
H 0.493307 2.152899 2.121234
H 0.933531 -0.715837 -1.132950
H -1.536526 -0.714911 -1.437173
H -3.038930 2.257085 1.804971


%chk=000203174-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203174

0 1
O -3.814544 -0.522571 -1.095891
O 3.118112 -1.547264 -0.358400
O -1.959769 2.495163 1.253759
O -4.042137 1.434135 0.150531
N 7.152748 -0.465781 0.646042
N 2.323648 0.376815 0.734620
C 8.303893 -1.158954 0.006193
C -7.562347 -1.295677 -0.499443
C -6.043820 -1.225367 -0.212289
C 5.844441 -0.603617 -0.025103
C -8.344206 -2.026841 0.616333
C 4.708945 -0.202534 0.940409
C -5.291994 -0.508965 -1.340935
C 8.641782 -0.650285 -1.423544
C 9.527168 -1.046473 0.938393
C 3.326949 -0.530970 0.365157
C -9.861151 -2.093542 0.338381
C 0.936079 0.351101 0.437799
C -1.857794 0.420884 -0.079683
C 0.147724 1.401572 0.964956
C -1.239323 1.448761 0.715838
C -3.301546 0.496013 -0.316781
C 0.335176 -0.675961 -0.355211
C -1.042642 -0.623040 -0.597107
H 8.018062 -2.228269 -0.066703
H -7.738067 -1.813278 -1.465784
H -7.967704 -0.268990 -0.613974
H -5.637209 -2.248584 -0.094994
H -5.869569 -0.687392 0.738451
H 5.700368 -1.663960 -0.300107
H 5.747833 -0.015084 -0.968774
H 7.383029 0.518671 0.849236
H -8.164956 -1.512272 1.581894
H -7.940982 -3.053509 0.730650
H 4.787767 0.870606 1.208711
H 4.849935 -0.778803 1.875960
H -5.397183 -1.036573 -2.303299
H -5.622918 0.540269 -1.438359
H 7.769074 -0.727480 -2.097523
H 9.464100 -1.241330 -1.868569
H 8.962357 0.409623 -1.392641
H 10.388772 -1.604568 0.529956
H 9.836915 0.011209 1.054314
H 9.285174 -1.445854 1.938252
H -10.293169 -1.078865 0.249815
H -10.069158 -2.630236 -0.606558
H -10.397196 -2.618824 1.149855
H 2.630820 1.162452 1.313520
H 0.585790 2.199042 1.575225
H 0.956138 -1.477382 -0.755329
H -1.520799 -1.400089 -1.200330
H -2.937714 2.371768 0.977177


