%chk=000229867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229867

0 1
O -0.176992 2.167225 0.040732
O 3.696139 -1.958302 0.815562
O 4.192595 -1.267030 -1.256268
N -1.309145 0.191883 0.148816
N 4.872072 1.202783 0.219308
C -2.641587 0.815475 -0.090256
C -3.251088 0.279345 -1.402269
C -3.570127 0.558799 1.114836
C -3.730450 -1.172672 -1.292245
C -4.047113 -0.895365 1.206298
C -4.688015 -1.359553 -0.108154
C -0.145921 0.955043 0.190858
C 1.131400 0.174182 0.461182
C 2.345346 0.977361 -0.009863
C 3.668037 0.392257 0.520284
C 3.905342 -0.972478 -0.123666
H -2.480156 1.927028 -0.193520
H -2.515080 0.374163 -2.223886
H -4.101745 0.931152 -1.683620
H -4.445945 1.232141 1.029383
H -3.057624 0.849276 2.052020
H -2.863906 -1.852305 -1.188642
H -4.233413 -1.469613 -2.232683
H -4.774360 -0.995938 2.034835
H -3.200677 -1.557438 1.468387
H -5.621279 -0.791805 -0.289495
H -4.988134 -2.420960 -0.028416
H -1.298831 -0.814447 0.264514
H 1.197768 -0.029081 1.552270
H 1.116615 -0.820391 -0.027173
H 2.355572 1.033447 -1.118324
H 2.238394 2.033661 0.328696
H 3.611937 0.262432 1.639177
H 4.821959 2.108833 0.676500
H 4.975823 1.361229 -0.781577
H 3.870892 -2.871237 0.463898


%chk=000229867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229867

0 1
O -0.311789 2.065495 0.727259
O 3.450184 -2.067888 0.479838
O 4.684305 -0.976954 -1.154231
N -1.298040 0.208750 -0.261161
N 4.811370 1.257456 0.541050
C -2.637224 0.832175 -0.390660
C -3.423356 0.159562 -1.542530
C -3.432296 0.753034 0.942396
C -3.858394 -1.289067 -1.201737
C -3.853978 -0.694569 1.285511
C -4.652443 -1.340099 0.126412
C -0.224192 0.868952 0.304559
C 1.074632 0.054272 0.406836
C 2.314201 0.939018 0.148389
C 3.667227 0.344476 0.671758
C 4.010671 -0.923870 -0.101296
H -2.456389 1.897844 -0.624897
H -2.822968 0.182273 -2.472725
H -4.331038 0.766223 -1.730442
H -4.337133 1.386364 0.838758
H -2.820339 1.193535 1.750184
H -2.970102 -1.952286 -1.120664
H -4.466965 -1.697600 -2.031038
H -4.456519 -0.700417 2.213849
H -2.949067 -1.302066 1.493826
H -5.609125 -0.792851 -0.004748
H -4.914177 -2.386871 0.374530
H -1.173862 -0.753045 -0.581690
H 1.133109 -0.353149 1.436966
H 1.051977 -0.818442 -0.272488
H 2.414295 1.169130 -0.930081
H 2.150366 1.900213 0.672127
H 3.526756 0.064668 1.732745
H 4.645017 2.194882 0.914797
H 5.235990 1.252924 -0.391731
H 3.687597 -2.862972 -0.072170


