%chk=000209939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209939

0 1
O -5.069760 -1.974262 -2.155075
O 0.875336 -0.083629 -0.410273
O 3.383719 2.239304 1.814484
N -2.437512 -0.998434 -1.643113
C -3.471465 -0.122086 -2.285176
C -3.095692 -1.969890 -0.708189
C -1.397822 -0.188024 -0.935860
C -4.462427 -1.018051 -3.046921
C -4.093956 -2.818779 -1.512156
C -0.056911 -0.888933 -1.203703
C 1.099805 1.900746 1.203245
C 0.776424 3.099854 2.098147
C 2.211010 -0.395846 -0.438524
C 3.036324 0.435366 0.351309
C 2.575199 1.587016 1.181324
C -0.726087 3.406817 2.110596
C 2.739102 -1.460944 -1.189952
C 4.416828 0.159031 0.359901
C -1.044766 4.603154 3.004600
C 4.112047 -1.699443 -1.152563
C 4.955261 -0.892675 -0.379141
H -4.021354 0.507650 -1.552988
H -2.960800 0.561110 -2.997156
H -2.312670 -2.622430 -0.267819
H -3.622360 -1.470942 0.134268
H -1.352739 0.851493 -1.327844
H -1.563787 -0.086911 0.158627
H -5.334708 -0.452559 -3.419027
H -3.971680 -1.558995 -3.875322
H -4.720676 -3.454016 -0.861932
H -3.587557 -3.432318 -2.278035
H -0.031366 -1.926711 -0.834707
H 0.236216 -0.844222 -2.265557
H 0.749065 2.080448 0.162986
H 0.539384 0.999389 1.535629
H 1.140418 2.906133 3.127474
H 1.349637 3.985515 1.756669
H -1.289926 2.520154 2.459974
H -1.079232 3.607152 1.080433
H 2.100306 -2.095132 -1.795477
H 5.067898 0.799142 0.969643
H -2.118312 4.820026 3.012101
H -0.527996 5.508751 2.665575
H -0.737583 4.424426 4.041819
H 4.531383 -2.523312 -1.732501
H 6.025281 -1.085032 -0.355194


%chk=000209939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209939

0 1
O -5.100481 -2.365843 -2.379758
O 0.747468 -0.062368 -0.387919
O 3.480338 2.169722 1.991309
N -2.568876 -1.085420 -1.754149
C -3.743529 -0.292399 -2.203109
C -3.020962 -2.301247 -1.026057
C -1.569911 -0.290663 -1.005119
C -4.645282 -1.161681 -3.095210
C -3.934751 -3.144063 -1.931277
C -0.165130 -0.874102 -1.216068
C 1.145842 2.091133 1.342008
C 0.946968 3.327520 2.236690
C 2.113157 -0.380596 -0.380698
C 2.984543 0.413343 0.434411
C 2.587033 1.590915 1.298657
C -0.526372 3.792638 2.264783
C 2.632556 -1.455852 -1.149393
C 4.367251 0.075652 0.441721
C -0.740782 5.040382 3.148667
C 4.008641 -1.756544 -1.115219
C 4.886153 -0.989336 -0.314623
H -4.343575 0.083361 -1.337075
H -3.389477 0.581318 -2.781741
H -2.143809 -2.906955 -0.731189
H -3.577210 -2.028973 -0.094029
H -1.578069 0.746497 -1.386239
H -1.788179 -0.239349 0.088267
H -5.563860 -0.621989 -3.378522
H -4.086984 -1.457594 -4.009502
H -4.348758 -4.007553 -1.385104
H -3.358028 -3.498948 -2.812628
H -0.115786 -1.933924 -0.895414
H 0.117848 -0.806858 -2.283862
H 0.812597 2.292346 0.303779
H 0.496575 1.254287 1.671184
H 1.291360 3.101205 3.263976
H 1.595360 4.151094 1.880083
H -1.166977 2.964250 2.632697
H -0.864147 4.010572 1.230136
H 1.970922 -2.058787 -1.776752
H 5.013846 0.694321 1.073089
H -1.799765 5.358556 3.155238
H -0.133236 5.890400 2.784890
H -0.440386 4.839964 4.194357
H 4.391668 -2.589507 -1.715512
H 5.955694 -1.219825 -0.285177


