%chk=000298332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298332

0 1
O 0.179512 0.848479 1.418032
O -1.676872 -1.589233 -0.043057
O -0.421232 -1.642758 3.212420
O -4.781329 1.963956 -1.158098
O -3.899978 -0.063474 -0.714207
N 1.735723 -0.676219 0.514559
N 2.381938 -1.162370 -1.644133
N 3.978375 -0.000116 1.424352
N 5.757182 -0.156050 -0.253030
N 5.375964 -0.850754 -2.481468
C -1.182970 0.637076 0.941205
C -1.506661 -0.865823 1.174485
C -0.231455 -1.483308 1.807592
C 0.858335 -0.384163 1.665290
C -1.232910 1.112736 -0.511815
C -2.472036 1.943076 -0.832654
C 3.113997 -0.424567 0.447082
C 1.348253 -1.110684 -0.804270
C 3.502500 -0.742026 -0.902215
C -3.734710 1.129644 -0.876351
C 4.881901 -0.588581 -1.230670
C 5.265930 0.109444 0.998977
C -6.131401 1.394549 -1.237301
C -6.674614 1.172059 0.156886
H -1.778515 1.288409 1.618494
H -2.400576 -0.999881 1.817563
H 0.034659 -2.451074 1.331004
H 1.467447 -0.202364 2.589591
H -1.149871 0.250586 -1.210376
H -0.318950 1.724525 -0.701072
H -2.340771 2.456419 -1.814510
H -2.593732 2.778840 -0.105319
H -2.563173 -1.352869 -0.458227
H -0.708756 -2.559132 3.415902
H 0.312793 -1.373893 -1.021239
H 6.007970 0.450379 1.741847
H 4.763426 -1.183592 -3.209524
H 6.357956 -0.746674 -2.680007
H -6.655506 2.196089 -1.790486
H -6.085352 0.466039 -1.833517
H -7.737408 0.899585 0.133046
H -6.140200 0.359775 0.671227
H -6.577686 2.071842 0.778692


%chk=000298332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298332

0 1
O 0.453087 1.214242 0.652935
O -1.429266 -0.880869 -0.631465
O -0.427749 -0.862297 2.926740
O -5.321385 1.918286 -0.501128
O -3.776424 0.352035 -1.227890
N 1.923650 -0.621243 0.185382
N 2.753658 -1.476857 -1.777293
N 4.061300 -0.308158 1.424677
N 6.007288 -1.017179 0.094005
N 5.816610 -1.885124 -2.098024
C -1.032870 1.196893 0.742001
C -1.411685 -0.311046 0.708230
C -0.233436 -0.963102 1.474537
C 0.992664 -0.062634 1.161988
C -1.538546 2.097018 -0.395750
C -3.016608 2.526793 -0.288923
C 3.316847 -0.672446 0.342239
C 1.645984 -1.109300 -1.107810
C 3.806830 -1.208744 -0.877784
C -4.030592 1.476191 -0.713674
C 5.218454 -1.376584 -0.974702
C 5.396011 -0.513356 1.211266
C -6.444636 0.998982 -0.893809
C -6.793148 0.056175 0.259357
H -1.329080 1.611099 1.730567
H -2.373774 -0.494354 1.230843
H -0.085101 -2.007570 1.144969
H 1.571032 0.119081 2.085243
H -1.336476 1.606833 -1.364548
H -0.915128 3.008717 -0.367601
H -3.196639 3.410238 -0.932377
H -3.271747 2.858852 0.735919
H -2.256617 -0.537676 -1.086588
H -1.094425 -1.534289 3.215602
H 0.620665 -1.164524 -1.470506
H 6.063578 -0.242247 2.034633
H 5.245613 -2.151323 -2.897095
H 6.829283 -1.982342 -2.117080
H -7.267162 1.692630 -1.127757
H -6.140317 0.443611 -1.797459
H -7.679862 -0.545651 -0.012405
H -5.961933 -0.637802 0.469439
H -7.030751 0.622945 1.175797


