%chk=000210632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210632

0 1
O -0.418339 1.160676 -0.240727
O 1.452317 1.692656 1.279103
O 0.415744 -0.754547 -1.109085
N -3.868067 -0.190310 -0.503129
C -4.938520 -0.254830 0.538298
C -5.042094 1.101116 1.283600
C -4.759013 -1.352555 1.622289
C -5.024613 0.800225 2.790529
C -4.491774 -0.633982 2.953282
C -3.980419 -1.299460 -1.507548
C -2.486006 -0.091200 0.052518
C -5.062026 -0.929372 -2.538907
C -1.735699 0.911847 -0.833170
C -5.165306 -1.986801 -3.633372
C 1.846881 0.730572 0.293954
C 0.569379 0.235188 -0.435984
C 2.798962 1.361371 -0.713051
C 2.521079 -0.390844 1.066932
C 3.517872 2.504675 -0.338660
C 2.733456 -1.640888 0.468864
C 2.989638 0.798334 -1.981991
C 2.959030 -0.156638 2.377916
C 4.412350 3.091817 -1.237238
C 3.383354 -2.650600 1.182853
C 3.886208 1.388798 -2.876578
C 3.607423 -1.171409 3.086991
C 4.596224 2.536061 -2.507387
C 3.822008 -2.417804 2.490598
H -5.898161 -0.439581 -0.010690
H -5.963362 1.629661 0.989746
H -4.214243 1.777084 1.003909
H -3.946273 -2.052720 1.373676
H -5.674693 -1.964091 1.690171
H -4.401188 1.524862 3.338997
H -6.041251 0.884090 3.213146
H -4.976830 -1.151275 3.796829
H -3.410542 -0.622472 3.178487
H -3.005764 -1.426036 -2.028400
H -4.211290 -2.280223 -1.040918
H -2.499787 0.275956 1.103337
H -1.940083 -1.059658 0.077758
H -4.827562 0.060197 -2.980203
H -6.041154 -0.803931 -2.036150
H -1.603888 0.559808 -1.869512
H -2.179301 1.922836 -0.814972
H -4.221715 -2.098419 -4.180283
H -5.427103 -2.970089 -3.226535
H -5.935962 -1.720701 -4.366121
H 0.859535 2.379988 0.881351
H 3.379219 2.925844 0.659493
H 2.381133 -1.832431 -0.547949
H 2.443626 -0.101015 -2.276578
H 2.784966 0.818086 2.840599
H 4.969104 3.980725 -0.944982
H 3.547004 -3.621221 0.717681
H 4.032338 0.951449 -3.863199
H 3.945701 -0.988456 4.105304
H 5.293634 2.993829 -3.206978
H 4.329145 -3.206493 3.043386


%chk=000210632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210632

0 1
O -0.357884 1.334325 -0.018902
O 1.762810 1.712076 1.378722
O 0.400306 -0.561924 -1.141498
N -3.815724 -0.168345 -0.280746
C -4.999618 -0.192254 0.621498
C -5.377003 1.218349 1.171321
C -4.888167 -1.121551 1.900491
C -5.969613 0.961845 2.577890
C -5.084617 -0.188247 3.127169
C -3.731197 -1.330264 -1.208231
C -2.522420 0.149035 0.363686
C -4.687240 -1.227248 -2.416615
C -1.739478 1.105829 -0.555921
C -4.567990 -2.451414 -3.350441
C 1.980447 0.774730 0.274348
C 0.615321 0.399046 -0.372784
C 2.887725 1.432758 -0.804331
C 2.634779 -0.491577 0.873422
C 3.844490 2.381670 -0.363811
C 3.169841 -1.497787 0.032372
C 2.826200 1.099307 -2.180009
C 2.687279 -0.658166 2.277881
C 4.725597 2.987311 -1.284585
C 3.747176 -2.658206 0.591461
C 3.707301 1.712131 -3.100649
C 3.272249 -1.818196 2.834845
C 4.660569 2.655948 -2.658382
C 3.802250 -2.823417 1.995111
H -5.837545 -0.554058 -0.001617
H -6.064944 1.749141 0.490637
H -4.466459 1.841744 1.260825
H -3.921173 -1.656894 1.928209
H -5.681804 -1.891274 1.879625
H -5.958489 1.861130 3.219603
H -7.021089 0.622171 2.497713
H -5.536471 -0.705641 3.992285
H -4.111027 0.222512 3.459954
H -2.693343 -1.389714 -1.589044
H -3.917457 -2.292729 -0.669909
H -2.691267 0.640532 1.337214
H -1.903804 -0.755764 0.558399
H -4.455306 -0.296255 -2.968143
H -5.734008 -1.131390 -2.066752
H -1.654135 0.693568 -1.575647
H -2.196644 2.105970 -0.583639
H -3.538075 -2.556357 -3.740732
H -4.820837 -3.387777 -2.817802
H -5.248958 -2.361214 -4.215888
H 0.986537 2.282190 1.136445
H 3.879059 2.637455 0.699317
H 3.138748 -1.379527 -1.054541
H 2.094308 0.368003 -2.539855
H 2.279439 0.129407 2.915995
H 5.462390 3.717460 -0.930719
H 4.156614 -3.431154 -0.068622
H 3.646359 1.449699 -4.162934
H 3.313221 -1.934543 3.923954
H 5.343254 3.128484 -3.373546
H 4.254815 -3.723239 2.427207


