%chk=000254490.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254490

0 1
O -1.590135 0.024950 -1.860194
O 0.253782 3.297265 1.729064
O -0.169376 3.013727 -1.451015
O 0.242148 1.331495 2.644975
O -2.017719 2.664479 -0.366869
O -1.662956 -2.710662 0.423567
O 3.627652 -1.591009 0.263881
O -3.366351 -1.819719 -0.787323
O 1.725626 -1.728152 -0.955937
N 0.138278 2.093794 1.704948
N -0.843378 2.483448 -0.602072
C -0.121328 1.425634 0.315143
C -1.066632 0.239902 0.521258
C 1.247439 1.096273 -0.299905
C -1.191283 -0.680990 -0.702750
C 2.119050 0.170992 0.547139
C -2.226384 -1.774130 -0.398002
C 2.407268 -1.128986 -0.155257
C -2.491578 -3.851440 0.788036
C 4.069644 -2.867820 -0.278073
H -2.075295 0.618257 0.818219
H -0.718533 -0.372352 1.391462
H 1.797290 2.043343 -0.517288
H 1.072553 0.655038 -1.316860
H -0.202337 -1.140767 -1.005162
H 1.658157 -0.068402 1.537896
H 3.077772 0.674849 0.815887
H -2.560576 0.242529 -1.844043
H -1.929143 -4.299974 1.613925
H -2.557441 -4.522182 -0.074606
H -3.486371 -3.515932 1.099637
H 5.102011 -2.932163 0.083529
H 4.017552 -2.849183 -1.371864
H 3.441195 -3.665612 0.129150


%chk=000254490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254490

0 1
O -1.789854 0.290991 -1.695205
O 1.079834 2.915717 1.734146
O -0.771921 3.197206 -0.990603
O 0.368680 1.005933 2.754491
O -2.118491 2.414989 0.667828
O -1.732615 -2.821224 0.247021
O 3.537467 -1.378218 0.547984
O -3.398923 -1.791780 -1.019800
O 1.795067 -1.604509 -0.973865
N 0.515429 1.763284 1.733870
N -1.060688 2.387098 -0.054210
C 0.001141 1.244361 0.326703
C -0.755313 -0.072557 0.529981
C 1.178273 1.302850 -0.661252
C -1.207815 -0.710886 -0.811239
C 2.491618 0.643188 -0.183792
C -2.233807 -1.816909 -0.552447
C 2.527012 -0.875753 -0.261983
C -2.664140 -3.942917 0.548768
C 3.728539 -2.851979 0.515115
H -1.623567 0.136397 1.178605
H -0.109027 -0.788784 1.062510
H 1.378714 2.367457 -0.863798
H 0.840498 0.854576 -1.610514
H -0.327264 -1.155585 -1.310106
H 2.787343 0.961617 0.830872
H 3.302598 1.004660 -0.846662
H -2.754773 0.075612 -1.822943
H -2.091852 -4.608550 1.208439
H -2.949911 -4.452736 -0.385781
H -3.567124 -3.558354 1.050446
H 4.555022 -3.040120 1.213453
H 3.984758 -3.178790 -0.506303
H 2.805691 -3.359785 0.840766


