%chk=000291913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291913

0 1
O 2.909250 0.264701 0.251082
O -3.240388 -1.301739 -0.486684
O -3.193586 2.258191 -0.722352
O -2.089050 -0.377442 1.234979
O -0.979527 2.699911 -0.549943
N 2.192497 -1.433531 -1.273531
C 4.270051 -0.288106 0.332534
C 4.638476 -0.933935 -1.016262
C 3.561245 -1.948033 -1.434467
C 0.627712 0.203810 -0.243059
C 1.962678 -0.431302 -0.495415
C -0.350934 -0.024314 -1.398267
C 5.104170 0.952341 0.642105
C -1.786478 0.426547 -1.076514
C 4.339902 -1.287435 1.467388
C -2.348526 -0.415616 0.057456
C -1.865803 1.907044 -0.743157
C 3.373425 -1.464823 2.362648
C -3.872227 -2.281037 0.403222
C -3.537197 3.650099 -0.418694
C -2.893229 -3.390150 0.721000
C -3.283472 4.520427 -1.630507
H 4.727375 -0.145020 -1.789615
H 5.630332 -1.414129 -0.961102
H 3.656322 -2.889814 -0.846417
H 3.682068 -2.224220 -2.506507
H 0.216691 -0.189426 0.716822
H 0.765517 1.300617 -0.062654
H 0.008661 0.513912 -2.300301
H -0.363591 -1.102091 -1.680528
H 6.169289 0.717898 0.724195
H 4.781185 1.408390 1.589138
H 4.974548 1.720820 -0.130844
H -2.425280 0.252127 -1.993662
H 5.273576 -1.849208 1.502767
H 2.442755 -0.907032 2.343741
H 3.436743 -2.173888 3.175498
H -4.719662 -2.609557 -0.226182
H -4.230337 -1.753342 1.304830
H -2.956256 3.967156 0.465649
H -4.609436 3.543958 -0.170409
H -3.380954 -4.218295 1.248606
H -2.073282 -3.029184 1.360604
H -2.433944 -3.798072 -0.189461
H -3.760185 4.111272 -2.530426
H -3.668117 5.536542 -1.481589
H -2.206307 4.604677 -1.841915


%chk=000291913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291913

0 1
O 3.047084 0.316863 0.342831
O -3.231650 -1.233378 -0.544301
O -3.117810 2.277566 -0.531839
O -1.977379 -0.203528 1.133299
O -1.014250 2.856110 -1.355086
N 2.302514 -1.277180 -1.345863
C 4.382983 -0.351642 0.467010
C 4.769039 -0.943669 -0.916406
C 3.653260 -1.883635 -1.421501
C 0.763542 0.411754 -0.378041
C 2.097844 -0.283651 -0.535401
C -0.222664 0.060975 -1.510728
C 5.339473 0.772424 0.904523
C -1.698367 0.472461 -1.241337
C 4.318136 -1.444387 1.528229
C -2.296027 -0.312237 -0.073083
C -1.859428 1.985910 -1.050278
C 3.254675 -1.728839 2.315898
C -3.849750 -2.138489 0.476506
C -3.445487 3.723854 -0.322365
C -2.979348 -3.379260 0.692838
C -4.030328 4.334386 -1.598741
H 4.903292 -0.104388 -1.625187
H 5.732653 -1.481147 -0.839098
H 3.642617 -2.819977 -0.827785
H 3.834755 -2.173343 -2.472304
H 0.341272 0.133757 0.607423
H 0.939026 1.501493 -0.337340
H 0.102970 0.560492 -2.440804
H -0.181378 -1.025360 -1.705102
H 6.353908 0.371671 1.082428
H 4.975589 1.233825 1.837786
H 5.396790 1.550970 0.123950
H -2.296319 0.209450 -2.135126
H 5.252730 -2.016980 1.636958
H 2.319259 -1.165438 2.235387
H 3.301019 -2.526331 3.065679
H -4.829538 -2.388086 0.039194
H -3.981504 -1.568641 1.412952
H -2.526217 4.247648 -0.007208
H -4.175234 3.704401 0.502421
H -3.487379 -4.074839 1.386460
H -2.006585 -3.103798 1.133482
H -2.803049 -3.908711 -0.259307
H -4.910219 3.762837 -1.940945
H -4.349384 5.374615 -1.400896
H -3.278435 4.353169 -2.405380


