%chk=000290569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290569

0 1
O 0.083822 3.613680 0.173774
N -0.186649 -0.453987 -0.048588
N -1.311648 1.708906 0.044591
C 1.146607 1.526719 0.111642
C 2.275296 2.501349 0.180476
C 1.551659 3.866759 0.215236
C -0.086044 2.259217 0.109198
C 1.054873 0.144166 0.030560
C 2.229657 -0.756520 0.009784
C -1.310434 0.318363 -0.034336
C -2.629013 -0.352968 -0.110056
C 3.239441 -0.615976 0.974808
C 2.329462 -1.754623 -0.972077
C -2.720952 -1.746596 0.058802
C -3.794259 0.397531 -0.349588
C 4.350618 -1.461891 0.944894
C 3.447223 -2.593043 -0.998390
C 4.458062 -2.446695 -0.043208
C -3.964439 -2.377763 -0.013181
C -5.033641 -0.242255 -0.420754
C -5.120700 -1.628020 -0.253048
H 2.903872 2.347581 1.077516
H 2.947944 2.410620 -0.694246
H 1.699271 4.430035 1.148204
H 1.739370 4.496978 -0.666476
H 3.149676 0.140346 1.752983
H 1.528947 -1.877312 -1.703788
H -1.817200 -2.333831 0.244701
H -3.728901 1.482531 -0.476121
H 5.132660 -1.356742 1.695086
H 3.526505 -3.365473 -1.762127
H 5.326841 -3.102876 -0.064997
H -4.031859 -3.456250 0.118288
H -5.933361 0.342049 -0.606148
H -6.089004 -2.123411 -0.308612


%chk=000290569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290569

0 1
O 0.030721 3.649631 0.320574
N -0.166801 -0.431132 -0.064285
N -1.319488 1.710916 0.091253
C 1.135047 1.573324 0.248445
C 2.250428 2.587397 0.439266
C 1.505459 3.944540 0.246931
C -0.108850 2.266866 0.216428
C 1.071348 0.170105 0.092612
C 2.248844 -0.742345 0.056067
C -1.295555 0.331430 -0.043712
C -2.608446 -0.352056 -0.180655
C 3.521643 -0.373921 0.572478
C 2.096319 -2.039229 -0.508679
C -2.678045 -1.767768 -0.278030
C -3.807701 0.408950 -0.212115
C 4.608515 -1.272547 0.519503
C 3.184268 -2.932121 -0.570240
C 4.447816 -2.552937 -0.057324
C -3.926525 -2.409789 -0.406585
C -5.054513 -0.236932 -0.341141
C -5.119198 -1.647471 -0.439524
H 2.686021 2.519114 1.454177
H 3.073078 2.467727 -0.287201
H 1.717180 4.684537 1.033029
H 1.689989 4.386803 -0.747445
H 3.668071 0.599333 1.047479
H 1.109828 -2.319961 -0.888135
H -1.745217 -2.338320 -0.245464
H -3.734842 1.497634 -0.133870
H 5.578780 -0.975534 0.932912
H 3.049426 -3.923967 -1.015722
H 5.293846 -3.247738 -0.102115
H -3.973375 -3.502214 -0.479115
H -5.975322 0.356460 -0.365347
H -6.089051 -2.148186 -0.539647


