%chk=000203106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203106

0 1
O 1.145897 -0.343750 -0.559496
O 3.043958 1.675553 0.263055
O -0.926957 2.472526 0.084188
O -2.598887 0.358413 0.842886
O -3.196695 -0.669838 -1.118806
N -4.778271 0.391271 0.263276
C 0.839708 1.086364 -0.620428
C -0.689664 1.148480 -0.424799
C 1.614189 1.835787 0.468479
C -1.198029 0.089889 0.564368
C 2.498672 -0.615767 -0.407325
C 3.422223 0.366279 0.016012
C 2.914339 -1.923111 -0.668220
C 4.775235 0.049925 0.162778
C 4.269154 -2.234870 -0.509450
C 5.188220 -1.259333 -0.106482
C -3.520696 -0.075794 -0.115259
C -5.977870 -0.244547 -0.347511
C -6.471451 -1.447274 0.448765
H 1.136587 1.433317 -1.636183
H -1.224112 1.059179 -1.402272
H 1.475799 2.932860 0.405077
H 1.371550 1.479971 1.483817
H -1.068955 -0.936460 0.167593
H -0.750147 0.178020 1.570735
H -1.828472 2.513758 0.486094
H 2.190962 -2.668760 -0.991272
H 5.478637 0.816702 0.480642
H 4.609619 -3.249948 -0.708159
H 6.240034 -1.519832 0.003070
H -4.889693 0.727353 1.221881
H -6.764376 0.542973 -0.407785
H -5.733211 -0.543652 -1.396132
H -5.718238 -2.245770 0.489889
H -6.733168 -1.188910 1.481161
H -7.368191 -1.880705 -0.013288


%chk=000203106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203106

0 1
O 1.204934 -0.307921 -0.612688
O 3.109530 1.556543 0.590347
O -0.873853 2.699596 -0.197070
O -2.739136 0.745902 0.705945
O -3.127732 -1.187936 -0.607846
N -4.872196 0.221659 0.110010
C 0.914321 1.136550 -0.437212
C -0.616264 1.264364 -0.391756
C 1.649376 1.662102 0.804297
C -1.284466 0.432612 0.714028
C 2.580903 -0.619548 -0.482988
C 3.508659 0.294895 0.089022
C 3.019052 -1.877014 -0.943707
C 4.874309 -0.046146 0.165332
C 4.385068 -2.221471 -0.852273
C 5.314248 -1.301240 -0.307700
C -3.564228 -0.180641 0.001316
C -5.981519 -0.559078 -0.464849
C -6.739830 -1.393383 0.589051
H 1.291765 1.684335 -1.323540
H -1.022861 0.924085 -1.366698
H 1.438787 2.729526 0.959294
H 1.377885 1.080845 1.707040
H -1.128857 -0.644950 0.542698
H -0.949961 0.735553 1.719020
H -1.850162 2.806640 -0.059702
H 2.281479 -2.561154 -1.375206
H 5.568339 0.677637 0.604156
H 4.721859 -3.199187 -1.211824
H 6.375936 -1.561344 -0.244683
H -5.069900 1.030362 0.700944
H -6.673793 0.134493 -0.978546
H -5.541359 -1.222145 -1.228552
H -6.060344 -2.115919 1.073105
H -7.181786 -0.751118 1.373033
H -7.560502 -1.957202 0.109101


