%chk=000268871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268871

0 1
O 0.493125 3.062465 -0.010595
O 4.959556 1.140070 -0.079772
O -2.555728 -2.668083 -0.322424
O -3.865626 0.710616 0.370450
N 2.708161 1.359966 -0.038278
N -0.276895 -2.504966 0.046282
N -2.068242 2.102239 -0.034270
C 1.238768 -0.590317 0.012897
C 1.421923 0.820539 -0.002340
C -0.107108 -1.094457 0.022504
C 0.299489 1.682106 0.033476
C -1.012642 1.164347 0.008510
C -1.200780 -0.231766 0.015564
C 2.419093 -1.417243 0.003019
C 3.665544 -0.890326 -0.020260
C 3.898120 0.549491 -0.049579
C -1.503495 -3.221498 -0.113937
C -3.459306 1.818445 0.111319
C -1.328124 -4.709212 -0.003604
C -4.327052 3.029446 -0.072711
H -2.232814 -0.632319 0.013497
H 2.288565 -2.504120 0.015653
H 2.809751 2.380112 -0.112209
H 0.580248 -3.055856 0.167463
H 4.567159 -1.502941 -0.026574
H -1.772283 3.073296 -0.212671
H 0.612037 3.393211 0.918347
H -0.682507 -5.120377 -0.791206
H -2.309400 -5.206260 -0.109200
H -0.923015 -5.019097 0.969267
H -4.128005 3.812070 0.671667
H -5.389004 2.747062 0.037722
H -4.221314 3.476659 -1.071305


%chk=000268871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268871

0 1
O 0.439543 3.083442 0.091741
O 4.989459 1.200977 -0.025265
O -2.639095 -2.814580 -0.042365
O -4.021194 0.747442 0.030678
N 2.658735 1.343949 0.018998
N -0.300568 -2.546290 0.010282
N -2.095019 2.090030 -0.028921
C 1.202114 -0.617923 0.027762
C 1.373911 0.803986 0.044057
C -0.144941 -1.134921 0.014843
C 0.255189 1.662801 0.098074
C -1.057255 1.135786 0.021740
C -1.261377 -0.272396 -0.005092
C 2.411074 -1.413946 0.017922
C 3.670717 -0.848087 0.017400
C 3.869235 0.603826 0.004455
C -1.479156 -3.309646 -0.016916
C -3.484451 1.885895 -0.040587
C -1.246206 -4.819915 -0.016893
C -4.284562 3.183416 -0.148391
H -2.273535 -0.675427 -0.034008
H 2.355642 -2.509718 0.009720
H 2.751691 2.362807 -0.056736
H 0.561664 -3.090360 0.026881
H 4.578369 -1.456616 0.010611
H -1.755824 3.055824 -0.101701
H 0.651295 3.412452 1.004023
H -1.682914 -5.248326 -0.935576
H -1.786487 -5.262614 0.837178
H -0.184213 -5.116739 0.042158
H -4.056004 3.868889 0.688672
H -5.355607 2.937587 -0.123972
H -4.062032 3.711699 -1.094070


