%chk=000245402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245402

0 1
O -0.093599 1.210108 1.587681
O -4.790664 0.231942 0.291581
O -3.589884 -1.561676 -0.384793
N 1.303228 0.239683 0.084159
C 2.482497 0.742815 0.838920
C 1.557397 -0.582477 -1.120318
C 3.132901 2.014448 0.236893
C 1.846633 -2.081752 -0.836903
C 0.030436 0.537959 0.568810
C 4.023123 1.683784 -0.966093
C 2.084122 3.070692 -0.117579
C 3.289462 -2.288767 -0.364912
C 0.853769 -2.688848 0.155422
C -1.166950 0.000711 -0.196401
C -2.469362 0.454238 0.458294
C -3.608079 -0.438124 0.062167
C -6.019809 -0.490137 0.014618
H 3.235015 -0.078705 0.913091
H 2.150252 0.974206 1.882705
H 0.695134 -0.502717 -1.817914
H 2.427972 -0.135073 -1.668661
H 3.789712 2.437785 1.042317
H 1.725764 -2.614093 -1.817060
H 3.466596 1.131087 -1.737952
H 4.882240 1.071003 -0.675683
H 4.411669 2.595456 -1.433262
H 2.542961 4.046871 -0.299722
H 1.354016 3.188401 0.697418
H 1.517268 2.797467 -1.013534
H 3.472796 -3.333221 -0.089105
H 4.012799 -2.022430 -1.142041
H 3.513021 -1.672431 0.520258
H -0.189144 -2.473298 -0.126254
H 0.958825 -3.777902 0.209426
H 1.003401 -2.297508 1.169575
H -1.121511 -1.121126 -0.222070
H -1.134287 0.325058 -1.256072
H -2.691604 1.517813 0.219553
H -2.363857 0.455160 1.573974
H -5.971578 -0.954797 -0.975771
H -6.167452 -1.246561 0.791190
H -6.777929 0.298555 0.062149


%chk=000245402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245402

0 1
O 0.047356 1.099223 1.626533
O -4.741380 0.440683 0.200111
O -3.568851 -1.493912 -0.345860
N 1.436890 0.133669 0.025810
C 2.618949 0.751100 0.692166
C 1.663479 -0.819165 -1.089561
C 3.069895 2.130089 0.121572
C 1.972221 -2.306088 -0.709374
C 0.177449 0.430996 0.547618
C 3.594816 2.047221 -1.332480
C 1.982042 3.221366 0.246255
C 3.316884 -2.494676 0.034819
C 0.827543 -2.993001 0.069778
C -1.061308 -0.034423 -0.239295
C -2.351494 0.546527 0.364220
C -3.565791 -0.294361 0.022125
C -6.004434 -0.299707 -0.037706
H 3.463510 0.046123 0.618243
H 2.359487 0.877681 1.758152
H 0.776875 -0.812055 -1.747720
H 2.509944 -0.440888 -1.691175
H 3.924173 2.425981 0.769767
H 2.067604 -2.817054 -1.693059
H 2.774300 1.813181 -2.036656
H 4.381935 1.276682 -1.444210
H 4.026081 3.017193 -1.642454
H 2.386850 4.205396 -0.056820
H 1.598522 3.293213 1.277784
H 1.121402 2.994332 -0.410308
H 3.567479 -3.569899 0.097136
H 4.150539 -1.984553 -0.484363
H 3.261531 -2.109966 1.069395
H -0.109730 -3.029346 -0.514762
H 1.104701 -4.034170 0.317694
H 0.624462 -2.467535 1.021536
H -1.135281 -1.136079 -0.233680
H -0.969120 0.263461 -1.301366
H -2.527764 1.590173 0.054023
H -2.241408 0.587185 1.466103
H -6.048054 -0.657879 -1.080104
H -6.075390 -1.164371 0.643522
H -6.799614 0.431255 0.164691


