%chk=000298418.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298418

0 1
O 0.962993 -0.744323 0.200593
O 2.879154 -0.198936 1.650651
O 2.023167 -0.651853 -1.791528
O -8.482657 -2.083705 0.513191
N -2.466798 0.107894 0.867507
C -0.244227 -1.343305 -0.413165
C -0.985506 -1.928192 0.789652
C -1.021366 -0.255270 -1.154143
C -1.628911 -0.837304 1.662018
C -1.643688 0.765745 -0.190158
C -3.792411 -0.279997 0.542591
C 3.157049 0.140476 0.287022
C 2.036049 -0.466821 -0.598760
C -4.477087 -1.240865 1.327567
C -4.500476 0.376674 -0.495349
C 3.176467 1.652621 0.108530
C 4.512467 -0.474415 -0.017834
C -5.815511 -1.516002 1.084058
C -5.841028 0.090028 -0.723411
C -6.519379 -0.859778 0.055467
C 3.024332 2.233292 -1.157825
C 4.935617 -0.649866 -1.342731
C 3.387402 2.464774 1.230835
C 5.354500 -0.838777 1.042279
C -7.947128 -1.213531 -0.146696
C 3.066535 3.623212 -1.294635
C 6.198555 -1.187765 -1.602309
C 3.427310 3.854323 1.088875
C 6.616070 -1.377418 0.775474
C 3.264820 4.435151 -0.172862
C 7.040217 -1.550816 -0.545613
C -8.724219 -0.462402 -1.194031
H 0.112663 -2.133546 -1.111506
H -1.759641 -2.635212 0.427199
H -0.282327 -2.527557 1.404555
H -0.351681 0.258349 -1.875356
H -1.812794 -0.730663 -1.769672
H -2.237344 -1.295076 2.473867
H -0.835656 -0.234165 2.161247
H -0.841497 1.343488 0.325341
H -2.260093 1.506595 -0.746009
H -3.961949 -1.757516 2.135764
H -3.999659 1.122625 -1.110002
H -6.345949 -2.257364 1.693251
H -6.362986 0.614683 -1.525603
H 1.940392 0.015594 1.881077
H 2.878470 1.605736 -2.040181
H 4.277939 -0.380348 -2.173037
H 3.530028 2.004574 2.211127
H 5.016433 -0.705379 2.072891
H 2.948797 4.073754 -2.279217
H 6.525852 -1.325007 -2.631706
H 3.590798 4.483967 1.962320
H 7.268245 -1.661569 1.599568
H 3.297630 5.518039 -0.282884
H 8.024004 -1.968949 -0.751877
H -9.770243 -0.805901 -1.217814
H -8.742272 0.615818 -0.994592
H -8.311476 -0.616918 -2.198014


%chk=000298418-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298418

0 1
O 1.035551 -0.716178 0.280356
O 2.979358 0.051012 1.802751
O 2.304647 -0.855625 -1.669829
O -8.757950 -1.955775 0.656963
N -2.506456 -0.152096 0.778292
C -0.132840 -1.379643 -0.420377
C -0.935548 -2.083364 0.685745
C -0.944671 -0.293583 -1.155694
C -1.665487 -1.057466 1.592231
C -1.664845 0.638678 -0.148530
C -3.869519 -0.391704 0.544773
C 3.267244 0.228550 0.376045
C 2.196040 -0.516769 -0.474199
C -4.606590 -1.357596 1.311509
C -4.603658 0.341093 -0.446140
C 3.212906 1.738677 0.010704
C 4.658973 -0.388887 0.117024
C -5.975593 -1.558686 1.103538
C -5.977095 0.128433 -0.642251
C -6.701748 -0.824731 0.123645
C 2.872770 2.209923 -1.282256
C 5.365956 -0.113478 -1.078241
C 3.554088 2.673500 1.020256
C 5.223541 -1.267716 1.072597
C -8.157377 -1.086960 -0.051235
C 2.868601 3.597067 -1.556401
C 6.622118 -0.712629 -1.315249
C 3.553317 4.056990 0.741875
C 6.483786 -1.861301 0.835504
C 3.208706 4.525679 -0.547692
C 7.186749 -1.588745 -0.359658
C -8.929812 -0.289148 -1.102704
H 0.300615 -2.097709 -1.138784
H -1.683297 -2.742881 0.205084
H -0.260354 -2.720756 1.285186
H -0.277748 0.283308 -1.821306
H -1.695981 -0.796860 -1.794647
H -2.259759 -1.569893 2.360998
H -0.916605 -0.439864 2.124161
H -0.909449 1.179689 0.452907
H -2.257726 1.400055 -0.673764
H -4.110720 -1.955258 2.081017
H -4.105828 1.088337 -1.069574
H -6.525282 -2.297274 1.697446
H -6.488390 0.718294 -1.411358
H 1.992682 0.043476 1.910215
H 2.616351 1.503610 -2.079819
H 4.944568 0.567817 -1.823164
H 3.812174 2.300565 2.015857
H 4.675771 -1.463449 1.997628
H 2.602797 3.949011 -2.559628
H 7.160221 -0.493424 -2.244212
H 3.822584 4.769052 1.530138
H 6.914835 -2.535292 1.584531
H 3.206666 5.600086 -0.762628
H 8.163449 -2.050324 -0.544145
H -9.979653 -0.619556 -1.099155
H -8.892612 0.795273 -0.887332
H -8.506483 -0.442656 -2.113008


