%chk=000216814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216814

1 1
O -0.895709 2.049355 1.053700
O 2.771645 0.564690 -1.640516
O -3.222537 1.205930 -0.352419
N 2.458269 -1.200779 -0.391638
N 2.241712 -0.701991 -1.580127
N 3.940031 2.037208 -0.217567
C 0.904404 -2.412226 1.127351
C 1.949916 -2.546536 0.010771
C -0.220139 -1.492102 0.736093
C -0.140604 -0.130096 1.085470
C -1.320230 -1.969116 0.028498
C -1.153579 0.749390 0.702077
C -2.284357 0.255464 -0.024488
C -2.355916 -1.097054 -0.346979
C 3.152837 -0.306169 0.424280
C 3.351785 0.842456 -0.364471
C -1.977208 3.016867 0.955392
C -4.451247 0.752950 -0.981245
H 1.372675 -2.078335 2.078144
H 0.509049 -3.430852 1.359336
H 1.499105 -3.051108 -0.886049
H 2.820015 -3.168351 0.339083
H 0.681401 0.254035 1.684091
H -1.400966 -3.022699 -0.236590
H -3.210218 -1.496374 -0.893072
H 3.441348 -0.499349 1.449542
H -2.843900 2.678893 1.532425
H -2.239518 3.172638 -0.097559
H -1.520278 3.908860 1.399865
H 4.329378 2.324706 0.678192
H 3.924953 2.730121 -0.964370
H -4.982961 0.056684 -0.326087
H -4.238708 0.319599 -1.962537
H -5.004649 1.697593 -1.080995


%chk=000216814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216814

1 1
O -1.088744 2.185160 1.125468
O 2.556114 0.502513 -1.629617
O -3.262434 1.248087 -0.520629
N 2.523817 -1.299077 -0.364542
N 1.938733 -0.812588 -1.492980
N 4.112737 1.879336 -0.519525
C 0.909039 -2.290930 1.285567
C 1.975428 -2.567655 0.169862
C -0.223549 -1.395309 0.828693
C -0.233608 -0.023057 1.180651
C -1.285708 -1.899253 0.035599
C -1.253629 0.852984 0.751246
C -2.308373 0.334775 -0.074944
C -2.315627 -1.044506 -0.403951
C 3.426321 -0.444189 0.238151
C 3.449607 0.706669 -0.566752
C -2.261768 3.039620 1.435528
C -4.360241 0.753636 -1.368906
H 1.416858 -1.866480 2.170650
H 0.535628 -3.291212 1.574963
H 1.519559 -3.093374 -0.684122
H 2.815843 -3.165692 0.559342
H 0.537010 0.402563 1.834070
H -1.321616 -2.961692 -0.232672
H -3.123089 -1.453673 -1.017409
H 3.966820 -0.691936 1.144781
H -2.944846 2.521761 2.132128
H -2.800741 3.315093 0.517515
H -1.828286 3.926708 1.920627
H 4.768385 2.084709 0.232933
H 3.952562 2.590043 -1.234957
H -4.972167 0.007176 -0.829600
H -3.967917 0.321445 -2.307980
H -4.966317 1.642646 -1.591588


