%chk=000183935.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183935

0 1
O -2.412502 -0.914962 -1.941231
O -1.069036 1.358169 1.023231
O -3.027773 2.486071 1.063425
O 3.402327 -0.129584 -1.174644
N 0.900779 3.335746 2.866558
C -2.695212 -1.125966 0.575008
C -4.108207 -0.537776 0.649791
C -2.962678 0.075908 1.485250
C -1.797611 -0.985922 -0.611939
C -1.612859 -2.107418 -1.620103
C -4.675834 0.264828 -0.489477
C -5.149765 -1.326983 1.409549
C -2.455803 1.431150 1.169372
C -0.303791 -2.187650 -2.357894
C -2.406233 -3.378879 -1.515263
C -0.347370 2.580881 0.687460
C 0.605343 2.183863 -0.421719
C 0.355291 3.003143 1.906121
C 1.536923 1.159738 -0.204083
C 0.532637 2.839487 -1.654790
C 2.393852 0.819314 -1.254249
C 1.407414 2.475144 -2.689498
C 2.345236 1.463512 -2.505344
C 3.426414 -1.013478 -0.081794
C 2.374395 -1.903639 0.154113
C 4.612830 -1.022607 0.660164
C 2.525259 -2.838009 1.181795
C 4.740270 -1.971383 1.677700
C 3.700925 -2.872098 1.940871
H -2.522470 -2.085853 1.089473
H -2.950327 -0.095335 2.574055
H -0.989231 -0.246224 -0.480073
H -5.481767 -0.270258 -1.006516
H -5.079187 1.224985 -0.136517
H -3.923902 0.491035 -1.264336
H -4.745208 -1.853611 2.281090
H -5.618050 -2.080190 0.761735
H -5.950409 -0.667452 1.773700
H -0.128723 -1.274617 -2.949242
H -0.266503 -3.029431 -3.059571
H 0.545959 -2.295745 -1.661466
H -3.405533 -3.198232 -1.092299
H -1.897008 -4.119754 -0.888164
H -2.567055 -3.828777 -2.505216
H -1.086081 3.370898 0.372362
H 1.586078 0.654360 0.760448
H -0.198058 3.628579 -1.823638
H 1.348540 2.989926 -3.649866
H 3.035812 1.167427 -3.292808
H 1.469266 -1.873780 -0.460268
H 5.404691 -0.310360 0.436589
H 1.722603 -3.544719 1.390856
H 5.653613 -2.005013 2.272212
H 3.808429 -3.602958 2.740580


%chk=000183935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183935

0 1
O -4.390352 -1.832167 -2.910891
O -1.039238 0.683567 0.996804
O -2.418119 1.525325 -0.699053
O 4.381660 -0.432023 -0.221847
N 0.824867 2.688351 3.015523
C -3.936212 -1.197014 -0.493790
C -4.626472 -0.394786 0.605460
C -3.056319 -0.477017 0.585417
C -3.915020 -0.769973 -1.933442
C -2.946993 -1.322764 -2.945975
C -5.328319 0.923704 0.288951
C -5.286707 -1.189545 1.732773
C -2.209987 0.667573 0.197476
C -2.625952 -0.478232 -4.168941
C -1.894532 -2.350517 -2.561971
C -0.058307 1.790098 0.668744
C 1.030158 1.263979 -0.256302
C 0.430622 2.276359 1.968859
C 2.192558 0.646161 0.261675
C 0.839794 1.379400 -1.655874
C 3.156445 0.133532 -0.635238
C 1.820316 0.870120 -2.536274
C 2.979856 0.244499 -2.033840
C 4.520024 -1.051841 1.052200
C 3.548322 -1.938300 1.570759
C 5.738123 -0.822372 1.725435
C 3.805735 -2.590600 2.797056
C 5.983371 -1.486370 2.947744
C 5.018931 -2.367925 3.489838
H -3.959772 -2.286712 -0.376144
H -2.601083 -1.113829 1.348208
H -4.319363 0.226090 -2.149611
H -6.327784 0.721034 -0.139092
H -5.469446 1.508560 1.216476
H -4.764401 1.550748 -0.419500
H -4.764444 -2.144399 1.925384
H -6.334075 -1.425590 1.466490
H -5.295889 -0.608164 2.673154
H -3.468242 0.189279 -4.417354
H -2.424243 -1.120025 -5.046074
H -1.730388 0.143958 -3.981508
H -2.192672 -2.940652 -1.680785
H -0.934413 -1.848034 -2.337762
H -1.723750 -3.050617 -3.400065
H -0.632882 2.588604 0.159838
H 2.351172 0.580887 1.343205
H -0.066617 1.857032 -2.042924
H 1.684252 0.963894 -3.618766
H 3.754755 -0.151082 -2.696930
H 2.617597 -2.122759 1.024896
H 6.468727 -0.136543 1.286567
H 3.057963 -3.278866 3.205943
H 6.926242 -1.310937 3.476883
H 5.211203 -2.877600 4.439695


