%chk=000257899.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257899

0 1
O 0.278928 2.879245 -0.021702
O 5.158902 2.393323 -0.018910
O -3.138806 0.066661 -3.507946
O 1.111355 -3.336128 0.025930
O -3.139927 0.122035 3.506567
O 6.077230 0.428366 -0.003837
O -4.900532 -0.604782 -2.435609
O 3.269405 -3.555079 0.027307
O -4.901321 -0.566227 2.444398
N 5.121257 1.178689 -0.009537
N -3.774165 -0.154349 -2.494104
N 2.247771 -2.899257 0.022334
N -3.774983 -0.114894 2.496136
C 1.356951 0.770964 -0.005856
C -1.184855 1.015992 -0.007658
C 0.166446 1.678757 -0.012670
C 1.233985 -0.622488 0.004914
C -1.820900 0.750781 1.209786
C 2.631927 1.363494 -0.010603
C -1.820499 0.731552 -1.220961
C 3.772295 0.548241 -0.004480
C -3.100490 0.155776 -1.202417
C 2.391024 -1.418634 0.010891
C -3.100882 0.174772 1.199929
C 3.670897 -0.849973 0.006320
C -3.759008 -0.127672 0.000964
H 0.248334 -1.111673 0.008837
H -1.338618 0.988141 2.169720
H 2.733111 2.464195 -0.019100
H -1.337902 0.953688 -2.184372
H 4.575689 -1.484679 0.011087
H -4.768920 -0.575638 0.004341


%chk=000257899-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257899

0 1
O 0.274355 2.884938 -0.020469
O 5.203799 2.487492 -0.024872
O -3.198593 0.136118 -3.578859
O 1.170006 -3.426625 0.033456
O -3.199887 0.183461 3.575109
O 6.192812 0.428898 -0.007865
O -5.046740 -0.577216 -2.443465
O 3.446957 -3.603942 0.032189
O -5.047683 -0.544749 2.448620
N 5.163838 1.201903 -0.013717
N -3.850448 -0.107176 -2.494656
N 2.356059 -2.923356 0.027000
N -3.851513 -0.073809 2.493998
C 1.390711 0.746785 -0.004943
C -1.201701 0.980110 -0.006917
C 0.172440 1.628989 -0.011234
C 1.289383 -0.664763 0.007796
C -1.856858 0.723215 1.218782
C 2.669290 1.363933 -0.011935
C -1.856230 0.706623 -1.229365
C 3.815343 0.553189 -0.006210
C -3.162729 0.177894 -1.199291
C 2.469475 -1.433555 0.013307
C -3.163273 0.193951 1.195217
C 3.750681 -0.854672 0.006476
C -3.847394 -0.090121 -0.000337
H 0.323380 -1.177861 0.013603
H -1.385313 0.931820 2.183756
H 2.753211 2.455300 -0.021597
H -1.384107 0.901950 -2.196831
H 4.656087 -1.467811 0.010783
H -4.861660 -0.497716 0.002172


