%chk=000288684.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288684

0 1
O 1.894980 1.515851 -0.440446
O -1.786555 1.339808 0.129091
O 1.942975 -0.762552 -1.043238
O -2.000787 -0.754350 1.191919
N 3.830995 0.384539 -0.201301
N -3.755217 0.255247 -0.026956
C 0.441696 1.582614 -0.789448
C -0.348201 1.421296 0.532926
C 0.196605 2.938296 -1.465288
C -0.171380 2.619998 1.477819
C 0.405941 4.128105 -0.497762
C -0.460338 3.967954 0.776016
C 2.515248 0.254177 -0.603560
C -2.481775 0.164783 0.502567
C 4.842452 -0.616666 -0.185010
C -4.821155 -0.679560 0.094472
C 6.133353 -0.230097 0.265113
C -6.051866 -0.347175 -0.532912
C 4.606721 -1.956592 -0.590436
C -4.695958 -1.904345 0.801434
C 7.179541 -1.173381 0.310681
C -7.147871 -1.229637 -0.455148
C 5.666094 -2.887921 -0.538052
C -5.804116 -2.775970 0.869281
C 6.953135 -2.510645 -0.090819
C -7.031857 -2.451813 0.247533
H 0.214757 0.735041 -1.460754
H -0.085006 0.468624 1.027500
H -0.849430 2.937216 -1.829640
H 0.854681 3.024194 -2.349409
H 0.876710 2.605862 1.836986
H -0.822602 2.482288 2.360455
H 1.475168 4.183982 -0.214263
H 0.156857 5.074349 -1.014303
H -1.532449 4.012187 0.501468
H -0.268930 4.801794 1.477491
H 4.091563 1.320351 0.117568
H -3.935793 1.105502 -0.565177
H 6.316408 0.805793 0.578779
H -6.149248 0.599205 -1.080485
H 3.613336 -2.250209 -0.935851
H -3.747588 -2.157501 1.279900
H 8.170373 -0.862750 0.660092
H -8.091200 -0.961775 -0.943735
H 5.478374 -3.921094 -0.851129
H -5.701821 -3.720466 1.415368
H 7.765479 -3.244007 -0.054941
H -7.883000 -3.138045 0.308104


%chk=000288684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288684

0 1
O 1.987874 1.494309 -0.472581
O -1.682983 0.986888 -0.289748
O 2.148205 -0.748207 -1.204868
O -2.232499 -0.544016 1.422194
N 3.957499 0.425177 -0.213012
N -3.755250 0.094836 -0.283203
C 0.561336 1.536457 -0.919328
C -0.309170 1.124401 0.289998
C 0.283487 2.967059 -1.399732
C -0.304588 2.171334 1.417275
C 0.330678 3.997570 -0.246232
C -0.629229 3.591882 0.898261
C 2.664795 0.268444 -0.680317
C -2.546695 0.101511 0.392600
C 5.011362 -0.531609 -0.218567
C -4.928547 -0.646304 0.031754
C 6.261948 -0.124159 0.318529
C -6.057329 -0.467599 -0.812508
C 4.856882 -1.846322 -0.731903
C -5.004722 -1.537746 1.134354
C 7.348745 -1.021128 0.342841
C -7.251057 -1.172485 -0.558457
C 5.956124 -2.731325 -0.699387
C -6.208394 -2.235221 1.373875
C 7.203526 -2.332550 -0.166870
C -7.335338 -2.062190 0.537948
H 0.433585 0.794493 -1.727550
H -0.004467 0.131969 0.668172
H -0.725732 2.968523 -1.856119
H 1.006658 3.225651 -2.194886
H 0.708418 2.164039 1.866698
H -1.011357 1.854724 2.205049
H 1.365223 4.061939 0.144139
H 0.065988 4.999976 -0.632524
H -1.673710 3.618488 0.529657
H -0.561378 4.316346 1.731606
H 4.165256 1.349504 0.171326
H -3.787712 0.694267 -1.110639
H 6.382203 0.892131 0.715562
H -5.999084 0.220758 -1.665550
H 3.894459 -2.156724 -1.143645
H -4.134787 -1.673528 1.779948
H 8.307798 -0.694567 0.759806
H -8.113926 -1.026221 -1.217535
H 5.831462 -3.745064 -1.096295
H -6.261440 -2.922861 2.225421
H 8.047589 -3.029841 -0.148366
H -8.262406 -2.610505 0.735309


