%chk=000256273.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256273

0 1
O 3.564450 0.526953 0.489736
O 2.679736 -2.173416 0.252015
O 4.363664 -0.081006 -1.550488
N -2.194855 0.048242 -0.671161
N -2.894368 0.225705 0.352602
C 2.250465 0.159718 0.179878
C -0.751767 0.038282 -0.505810
C 1.315005 1.095638 0.430117
C -0.112798 0.917391 0.308166
C 2.049099 -1.269272 -0.246611
C -0.145533 -0.913330 -1.437492
C 1.068608 -1.470161 -1.332726
C -4.329109 0.259281 0.200887
C -5.046215 0.143382 1.407891
C -5.007910 0.430639 -1.019662
C -6.440657 0.196144 1.382311
C -6.402564 0.486022 -1.026504
C 4.592790 0.299618 -0.435485
C -7.118480 0.368035 0.170012
C 5.884244 0.632970 0.244718
C 6.303809 -0.374409 1.256167
C 6.550280 1.736261 -0.091955
H 1.642929 2.079207 0.797066
H -0.710095 1.604265 0.927579
H -0.791405 -1.190839 -2.287525
H 1.421094 -2.185748 -2.088518
H -4.510201 0.011597 2.349442
H -4.445217 0.518912 -1.950646
H -7.002543 0.103928 2.311383
H -6.934389 0.620051 -1.968049
H -8.207205 0.410316 0.158095
H 7.227997 -0.088726 1.776114
H 5.523187 -0.514686 2.024396
H 6.478467 -1.360926 0.796802
H 7.498792 2.009864 0.353040
H 6.209492 2.446598 -0.834285


%chk=000256273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256273

0 1
O 3.503692 1.011976 0.660646
O 3.624130 -0.727085 -1.312304
O 4.606609 1.993384 -1.185179
N -2.214569 -0.202126 -0.537901
N -2.922798 0.388516 0.393480
C 2.296999 0.591929 0.147789
C -0.790052 -0.044999 -0.413189
C 1.152888 1.077249 0.795903
C -0.211474 0.791614 0.562876
C 2.425039 -0.391403 -0.965069
C -0.089067 -0.818475 -1.401951
C 1.270875 -0.967313 -1.633325
C -4.337479 0.249420 0.250681
C -5.108697 0.858594 1.277493
C -4.986827 -0.434406 -0.818788
C -6.516306 0.785918 1.241943
C -6.391154 -0.500450 -0.846212
C 4.685127 1.159938 -0.274767
C -7.160611 0.106848 0.180738
C 5.881251 0.466816 0.281867
C 5.681175 -0.632275 1.299690
C 7.096047 0.864084 -0.189996
H 1.373728 1.787815 1.602506
H -0.937507 1.295489 1.214706
H -0.764602 -1.380352 -2.060612
H 1.564563 -1.645991 -2.444359
H -4.580706 1.376953 2.084645
H -4.374424 -0.895035 -1.599683
H -7.108989 1.255042 2.034319
H -6.896678 -1.023184 -1.665789
H -8.254357 0.050087 0.150119
H 6.649483 -1.058500 1.611408
H 5.152538 -0.259186 2.194727
H 5.062967 -1.437970 0.864590
H 8.021654 0.395461 0.160726
H 7.176325 1.658119 -0.940230


