%chk=000272663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272663

0 1
S 5.166677 -0.044910 0.707724
O 7.122957 0.503300 -2.169821
O 4.962393 1.065856 -2.333089
N -0.793944 -0.006538 0.970111
N -1.514024 -0.073862 -0.066157
N -5.093366 0.273462 1.150232
N -4.991425 -0.077890 -1.287268
N -3.194191 0.347103 2.470569
N -2.976003 -0.354451 -2.404569
N -7.043553 0.197654 -0.165658
C 3.410261 -0.078499 0.668373
C 0.635878 -0.055702 0.773630
C -2.899167 -0.000160 0.037916
C 2.698798 0.706258 -0.241956
C 2.754635 -0.856763 1.628697
C 1.303640 0.714963 -0.195561
C 1.361474 -0.843939 1.689152
C -3.715637 0.205316 1.215145
C -3.620397 -0.142963 -1.213275
C -5.671874 0.129937 -0.096503
C 5.646652 -0.782402 -0.875813
C 5.796160 0.342976 -1.840023
H 3.224456 1.305378 -0.996861
H 3.322206 -1.470952 2.330367
H 0.734487 1.319606 -0.900804
H 0.833173 -1.438468 2.433348
H 4.907004 -1.526267 -1.236740
H 6.603332 -1.332485 -0.722325
H -2.193707 0.323690 2.638904
H -3.806215 0.500769 3.259192
H -1.969478 -0.413454 -2.448424
H -3.501081 -0.446253 -3.260991
H -7.514950 0.100417 -1.050204
H -7.589026 0.347732 0.667503
H 7.277153 1.266444 -2.789720


%chk=000272663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272663

0 1
S 5.237863 0.019345 0.747531
O 7.257604 0.556079 -2.046773
O 5.049326 0.648329 -2.761978
N -0.854320 -0.083609 1.005577
N -1.560075 0.080067 -0.112339
N -5.109479 -0.084017 1.159467
N -5.044713 0.259999 -1.281941
N -3.111858 -0.267485 2.385923
N -3.003880 0.408979 -2.418163
N -7.053843 0.106054 -0.112336
C 3.395588 -0.039985 0.715500
C 0.559966 -0.055810 0.832784
C -2.937223 0.070397 -0.010918
C 2.637266 0.182054 -0.462672
C 2.740518 -0.261858 1.951899
C 1.232112 0.160840 -0.404535
C 1.333690 -0.258787 2.008225
C -3.741901 -0.095503 1.190531
C -3.684111 0.247455 -1.243800
C -5.681583 0.093295 -0.072975
C 5.688567 -0.840910 -0.892847
C 5.914524 0.172778 -1.991317
H 3.138036 0.383945 -1.416169
H 3.325946 -0.447217 2.858669
H 0.639088 0.328892 -1.307669
H 0.814691 -0.429585 2.957387
H 4.860586 -1.514974 -1.154040
H 6.607690 -1.406840 -0.685791
H -2.068539 -0.266931 2.343290
H -3.677146 -0.381308 3.226719
H -1.985020 0.400378 -2.388561
H -3.524841 0.534581 -3.282425
H -7.521019 0.235991 -1.005597
H -7.574107 -0.012830 0.752715
H 7.373895 1.263093 -2.738270


