%chk=000253682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253682

0 1
O 2.498742 -0.267994 2.855464
O 3.174453 1.683173 -1.289078
O -4.484375 1.501818 -1.368887
O -0.181000 -0.064818 -0.669569
N 2.877943 1.029176 0.940772
N -2.201695 1.000450 -1.192577
C 0.478751 2.964315 0.403474
C -1.024312 3.189027 0.605864
C 1.195008 2.710494 1.734020
C -1.770632 3.425182 -0.712722
C 2.680319 2.371568 1.538364
C -1.649414 2.271495 -1.719495
C 2.712664 -0.198111 1.672611
C 3.054375 0.806922 -0.473171
C -3.610022 0.754981 -1.016417
C -1.385361 -0.051622 -0.648897
C 2.893846 -1.286125 0.649503
C 3.092340 -0.688642 -0.626203
C -3.684317 -0.587704 -0.341887
C -2.361966 -1.065129 -0.119853
C 2.884522 -2.655424 0.803200
C 3.274816 -1.457422 -1.755083
C -4.783329 -1.322511 0.044863
C -2.133632 -2.277807 0.492360
C 3.075469 -3.448277 -0.353303
C 3.264147 -2.864251 -1.600728
C -4.552253 -2.569500 0.674662
C -3.261131 -3.034638 0.893405
H 0.637083 2.095366 -0.273685
H 0.930820 3.831063 -0.114592
H -1.464361 2.320138 1.133484
H -1.189281 4.057822 1.273307
H 0.695745 1.888295 2.287041
H 1.114009 3.600983 2.387550
H -2.842874 3.614888 -0.496532
H -1.394632 4.349466 -1.196410
H 3.206434 2.389907 2.520950
H 3.172705 3.119752 0.874089
H -2.199113 2.526721 -2.654877
H -0.580261 2.096521 -1.990678
H 2.736728 -3.116224 1.779772
H 3.419727 -1.002344 -2.735247
H -5.798295 -0.960731 -0.124488
H -1.121864 -2.645533 0.666641
H 3.072945 -4.534247 -0.254643
H 3.406147 -3.491964 -2.481316
H -5.408903 -3.166904 0.990792
H -3.103113 -3.997002 1.382649


%chk=000253682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253682

0 1
O 2.260664 -0.249962 2.834335
O 3.481418 1.706261 -1.272664
O -4.567439 1.494015 -1.258551
O -0.176119 -0.114449 -0.686579
N 2.839214 1.046679 0.924416
N -2.245209 0.998687 -1.092211
C 0.528382 3.055641 0.396276
C -0.988256 3.273469 0.597335
C 1.279225 2.847723 1.729591
C -1.781794 3.454927 -0.718327
C 2.742708 2.381249 1.540911
C -1.726722 2.245291 -1.685470
C 2.581871 -0.168242 1.621233
C 3.192363 0.812212 -0.438311
C -3.635162 0.722676 -0.921307
C -1.432441 -0.079184 -0.636769
C 2.795093 -1.263051 0.620533
C 3.159395 -0.675516 -0.613465
C -3.704711 -0.637256 -0.293112
C -2.383348 -1.116763 -0.122589
C 2.686604 -2.653244 0.765725
C 3.424829 -1.457317 -1.746146
C -4.815150 -1.400422 0.096171
C -2.125958 -2.373679 0.443471
C 2.952383 -3.455709 -0.374809
C 3.314741 -2.866161 -1.612557
C -4.566713 -2.674536 0.671554
C -3.243047 -3.153588 0.842879
H 0.687888 2.165683 -0.238926
H 0.963223 3.918825 -0.148212
H -1.405311 2.416019 1.165354
H -1.153959 4.167887 1.231605
H 0.749066 2.099844 2.350267
H 1.295552 3.790139 2.313404
H -2.841838 3.675588 -0.490830
H -1.384992 4.328761 -1.273514
H 3.254680 2.339274 2.519334
H 3.291719 3.073943 0.877455
H -2.333678 2.466840 -2.581887
H -0.691776 2.035821 -2.005995
H 2.411581 -3.095990 1.728529
H 3.703835 -0.991010 -2.696165
H -5.832524 -1.021010 -0.041264
H -1.098935 -2.730894 0.569960
H 2.880427 -4.546402 -0.300323
H 3.513716 -3.509837 -2.476329
H -5.408835 -3.298647 0.989257
H -3.083060 -4.139986 1.291219


