%chk=000202503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202503

0 1
O -0.170584 0.767433 -1.837242
O -4.908710 -2.297212 0.880181
O 4.352175 -3.068808 -0.101331
N -0.420887 4.153531 -0.076880
C 1.490412 2.412236 0.185542
C 0.114633 1.725882 0.413546
C -0.992740 2.785940 0.153624
C 1.547036 3.063868 -1.212451
C 1.632785 3.527646 1.249845
C 0.426137 4.122651 -1.318399
C 0.452932 4.516874 1.090709
C -0.098620 0.436586 -0.426443
C -1.399447 -0.283569 -0.078693
C 1.078585 -0.517469 -0.304088
C -1.982349 -0.214277 1.197434
C 1.943745 -0.719065 -1.396509
C -2.006510 -1.069456 -1.068526
C 1.307878 -1.201447 0.894645
C -3.157303 -0.900474 1.482847
C 3.028031 -1.580657 -1.291848
C -3.188850 -1.768037 -0.813060
C 2.394086 -2.072858 1.028377
C -3.752689 -1.674481 0.465415
C 3.242881 -2.251888 -0.069854
C -5.610751 -3.128010 -0.075674
C 4.667921 -3.828116 1.089839
H 2.310241 1.670157 0.292807
H 0.073483 1.421500 1.488662
H -1.609995 2.512221 -0.730161
H -1.692005 2.841484 1.011659
H 1.430408 2.285651 -1.991996
H 2.535500 3.521281 -1.380902
H 2.596660 4.048733 1.121963
H 1.651623 3.098834 2.264704
H 0.849086 5.135461 -1.474290
H -0.233148 3.924609 -2.186107
H -0.174963 4.537771 2.003311
H 0.820314 5.551159 0.936456
H -0.792507 1.520552 -1.969707
H -1.514503 0.384132 1.981534
H 1.750264 -0.191403 -2.335920
H -1.540994 -1.131031 -2.057524
H 0.632396 -1.065922 1.739996
H -3.623359 -0.855288 2.463734
H 3.706586 -1.750717 -2.123941
H -3.642761 -2.367470 -1.594033
H 2.555939 -2.594174 1.964502
H -6.463308 -3.481901 0.518642
H -4.978335 -3.963181 -0.389991
H -5.947638 -2.527706 -0.925539
H 3.853800 -4.518779 1.327441
H 4.888810 -3.154639 1.922571
H 5.567311 -4.373955 0.776123


%chk=000202503-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202503

0 1
O -0.212754 0.836167 -1.946206
O -5.006608 -2.332536 0.907663
O 4.389300 -3.121723 -0.102884
N -0.351913 4.227097 0.002575
C 1.532683 2.441812 0.141484
C 0.148622 1.754064 0.368649
C -0.950276 2.879787 0.227149
C 1.612160 3.190706 -1.218207
C 1.715576 3.493233 1.272865
C 0.429814 4.222304 -1.274010
C 0.561458 4.556508 1.140614
C -0.128565 0.475608 -0.502326
C -1.450646 -0.230382 -0.114451
C 1.049673 -0.511463 -0.394829
C -2.125323 -0.038399 1.119948
C 1.969165 -0.689073 -1.460141
C -1.998504 -1.168901 -1.025532
C 1.256532 -1.239890 0.799311
C -3.301382 -0.747960 1.429131
C 3.063230 -1.564522 -1.332589
C -3.175603 -1.889056 -0.734968
C 2.353794 -2.117531 0.947713
C -3.833102 -1.677096 0.503227
C 3.264229 -2.278739 -0.126144
C -5.583831 -3.312906 -0.015131
C 4.638327 -3.879254 1.124318
H 2.336189 1.687875 0.201543
H 0.166181 1.396481 1.418989
H -1.635626 2.675467 -0.618882
H -1.581692 2.935948 1.132401
H 1.554275 2.477148 -2.054832
H 2.588420 3.710045 -1.278123
H 2.707924 3.972627 1.171037
H 1.690822 2.999596 2.263872
H 0.796006 5.251016 -1.446125
H -0.272375 3.981712 -2.093650
H -0.048590 4.603355 2.061593
H 0.968405 5.568340 0.962096
H -1.059882 1.331182 -2.081545
H -1.741006 0.670457 1.860138
H 1.808249 -0.143423 -2.393250
H -1.481153 -1.339842 -1.975426
H 0.543120 -1.143253 1.626211
H -3.823008 -0.597530 2.379323
H 3.774340 -1.709650 -2.151843
H -3.561709 -2.605649 -1.466425
H 2.478783 -2.668605 1.884760
H -6.478216 -3.696967 0.496923
H -4.879588 -4.144770 -0.211169
H -5.876302 -2.841318 -0.973613
H 3.802756 -4.570958 1.349619
H 4.803173 -3.206040 1.988614
H 5.553150 -4.456896 0.925535


