%chk=000257658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257658

0 1
S 0.002499 0.008323 -2.073080
O 0.419680 -1.180365 -2.800481
O -0.412410 1.202967 -2.791974
O -3.396491 2.241167 1.167111
O 3.391194 -2.251150 1.159397
O -4.709094 0.751279 2.013008
O 4.701254 -0.768330 2.021503
N -3.769980 1.086702 1.289983
N 3.764377 -1.097757 1.292843
N -4.397219 -1.791299 1.468580
N 4.391200 1.778634 1.496886
C -1.279417 -0.473466 -1.011076
C 1.281090 0.481340 -1.003135
C -2.016265 0.454633 -0.307350
C 2.015744 -0.452547 -0.304801
C -1.599859 -1.851255 -0.907953
C 1.601151 1.858231 -0.887638
C -3.066038 0.053845 0.556018
C 3.062784 -0.058889 0.565149
C -3.390337 -1.337735 0.666893
C 3.386730 1.331720 0.688470
C -2.620185 -2.279544 -0.093258
C 2.618909 2.279778 -0.066242
H -1.810363 1.534587 -0.397293
H 1.810181 -1.531718 -0.404321
H -1.020313 -2.577919 -1.499208
H 1.023452 2.589753 -1.474684
H -2.857716 -3.339844 -0.023490
H 2.856175 3.339468 0.013037
H -4.616323 -2.772351 1.533930
H -4.975509 -1.146075 2.017414
H 4.610029 2.759117 1.571066
H 4.967769 1.128901 2.042195


%chk=000257658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257658

0 1
S 0.002255 0.008455 -1.988055
O 0.462712 -1.362541 -2.757891
O -0.455623 1.386088 -2.747551
O -4.076746 2.355076 0.484828
O 4.071478 -2.360177 0.479793
O -5.347286 0.806472 1.567040
O 5.340009 -0.820868 1.577509
N -4.315881 1.135841 0.827529
N 4.310899 -1.143689 0.831945
N -4.644338 -1.726290 1.531145
N 4.638794 1.712688 1.559220
C -1.420162 -0.493774 -0.859243
C 1.421127 0.500902 -0.850467
C -2.316378 0.477912 -0.431800
C 2.315540 -0.474634 -0.428072
C -1.572868 -1.866839 -0.548895
C 1.573569 1.871355 -0.528696
C -3.406622 0.081692 0.383170
C 3.403550 -0.085519 0.393294
C -3.603525 -1.302929 0.747967
C 3.600101 1.296049 0.769643
C -2.651323 -2.256557 0.245307
C 2.649870 2.254149 0.271776
H -2.220269 1.527857 -0.725493
H 2.219825 -1.522138 -0.730467
H -0.866085 -2.596957 -0.957331
H 0.868332 2.605038 -0.933400
H -2.792272 -3.313907 0.495025
H 2.790619 3.309398 0.530333
H -4.747501 -2.712633 1.761402
H -5.311362 -1.019480 1.862955
H 4.741624 2.697118 1.797670
H 5.304638 1.003043 1.887310


