%chk=000281831.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281831

0 1
O -0.697384 1.635374 1.564355
O -2.056061 -1.741150 -0.085701
O 4.007211 1.860649 -0.540644
O 1.685706 -2.945880 0.142786
O -3.308956 0.090012 -0.710507
O -6.205509 -1.362827 2.777681
N -0.313601 1.746658 -2.173341
N 1.181994 1.700906 0.235364
N 4.365058 -2.846926 0.348159
N -4.250073 -1.760996 0.349347
C -0.985124 1.844766 -0.836211
C -0.092318 2.978779 -1.347272
C -0.236839 1.135887 0.301177
C 1.231848 2.957339 -0.576659
C -0.058091 -0.420320 0.335696
C 2.054441 0.641381 0.040372
C 1.435771 -0.582043 0.170465
C -1.185611 1.874692 -3.359913
C -0.840181 -1.209721 -0.708007
C 3.545332 0.782627 -0.226647
C 2.157926 -1.823874 0.158645
C -2.031690 1.246091 1.944050
C 4.305214 -0.460793 -0.088911
C 3.692294 -1.668935 0.120884
C 5.790074 -0.328320 -0.188242
C -3.221353 -1.015273 -0.205241
C -5.622818 -1.217025 0.408368
C -5.884787 -0.455451 1.719288
H -2.074935 1.894148 -0.738088
H -0.464034 3.956084 -1.649958
H 1.296497 3.819538 0.123523
H 2.125970 2.980297 -1.239674
H -0.356834 -0.782535 1.356669
H -1.979062 2.634379 -3.302144
H -0.542884 2.105745 -4.227846
H -1.668487 0.898836 -3.547714
H -0.324409 -2.160015 -0.972326
H -1.098740 -0.637427 -1.613548
H -2.060219 0.175704 2.171954
H -2.756905 1.504610 1.163002
H -2.194697 1.844148 2.849802
H 6.282505 -0.582597 0.759922
H 6.081436 0.709999 -0.427723
H 6.206461 -0.959946 -0.983004
H 3.846006 -3.717628 0.339729
H 5.357862 -2.905886 0.207875
H -4.068850 -2.681128 0.739464
H -6.345523 -2.061237 0.314411
H -5.793310 -0.536416 -0.461438
H -5.033880 0.183442 2.013143
H -6.801394 0.163628 1.642791
H -5.413045 -1.866071 3.052037


%chk=000281831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281831

0 1
O -0.454096 1.474148 2.013158
O -2.065304 -1.729904 0.412632
O 3.955187 2.032633 -0.492322
O 2.035268 -3.074913 0.451826
O -3.281496 -0.641687 -1.304612
O -6.040198 0.406816 1.786543
N -0.548930 1.562035 -1.784056
N 1.180879 1.550290 0.306221
N 4.610017 -2.764897 -0.142269
N -4.328899 -1.669227 0.525309
C -1.077551 1.613696 -0.367227
C -0.336347 2.808471 -0.952238
C -0.145192 0.955724 0.660666
C 1.061315 2.880730 -0.335491
C 0.111809 -0.600577 0.681643
C 2.121706 0.574306 0.124211
C 1.597577 -0.697125 0.356239
C -1.578399 1.659564 -2.855227
C -0.752231 -1.467059 -0.251911
C 3.556511 0.831192 -0.267549
C 2.422331 -1.856392 0.271340
C -1.774187 1.096453 2.535874
C 4.415974 -0.337684 -0.360187
C 3.886886 -1.604804 -0.094003
C 5.869289 -0.147352 -0.738577
C -3.233615 -1.291690 -0.226426
C -5.703781 -1.375892 0.077711
C -6.096786 0.089431 0.353937
H -2.159122 1.625576 -0.208851
H -0.867185 3.728466 -1.219870
H 1.114381 3.683507 0.422187
H 1.878073 3.016102 -1.059787
H -0.062009 -0.955867 1.716148
H -2.390186 2.390977 -2.637082
H -1.074442 1.957973 -3.790444
H -2.043388 0.669287 -2.981605
H -0.283618 -2.456581 -0.367440
H -0.922360 -0.990922 -1.230513
H -1.953585 0.005748 2.451825
H -2.592211 1.645710 2.026416
H -1.756601 1.386489 3.597825
H 6.555530 -0.490975 0.061645
H 6.062138 0.923838 -0.909681
H 6.132406 -0.692655 -1.667439
H 4.091732 -3.626502 0.062663
H 5.598569 -2.783296 -0.377578
H -4.163055 -2.292055 1.316428
H -6.383915 -2.048614 0.628242
H -5.795516 -1.584085 -1.004826
H -5.447925 0.767566 -0.236046
H -7.146153 0.257016 0.061444
H -5.117293 0.222308 2.101323


