%chk=000207662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207662

0 1
Cl -1.513226 4.733662 0.519450
N 0.873641 0.465261 -1.191904
N -3.916742 -2.790249 -0.378709
C -0.613754 -1.196046 0.632891
C -0.771578 0.273877 0.625834
C -0.055404 1.097675 -0.283908
C -1.884748 -1.998331 0.773659
C 2.046105 -0.062874 -0.516814
C 1.873038 -1.192467 0.321434
C 0.567149 -1.829149 0.512459
C -2.707577 -1.922072 -0.525876
C -1.672158 0.878002 1.516779
C -0.292395 2.484691 -0.314440
C 1.136273 1.192567 -2.462720
C 3.326726 0.482672 -0.707778
C 3.000087 -1.745046 0.951052
C -1.908190 2.254707 1.500940
C -1.218980 3.030293 0.570498
C 4.432574 -0.090111 -0.076417
C 4.270747 -1.199661 0.757300
C -4.725541 -2.817152 -1.629274
H -2.480962 -1.639815 1.636490
H -1.665531 -3.063825 1.001887
H 0.606096 -2.923294 0.540687
H -2.947399 -0.863840 -0.766161
H -2.097427 -2.308748 -1.373234
H -2.206979 0.257313 2.239820
H 0.245360 3.132070 -1.005433
H 1.717612 0.531298 -3.129871
H 1.679972 2.143563 -2.352360
H 0.172324 1.393772 -2.961899
H 3.468825 1.355694 -1.340991
H 2.878850 -2.611898 1.600791
H -2.612066 2.707966 2.196393
H 5.423042 0.334916 -0.232395
H 5.132774 -1.639991 1.254311
H -4.500525 -2.436162 0.387476
H -4.130882 -3.268767 -2.440965
H -5.084633 -1.836274 -1.973942
H -5.598298 -3.471327 -1.469161


%chk=000207662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207662

0 1
Cl -1.712591 4.911807 0.371736
N 1.096559 0.736813 -1.065412
N -3.973767 -2.881103 -0.252933
C -0.623349 -1.144678 0.535800
C -0.820244 0.331496 0.505010
C 0.011138 1.219074 -0.258355
C -1.854385 -2.029480 0.718595
C 2.183537 0.029167 -0.440904
C 1.939616 -1.174382 0.292996
C 0.601899 -1.760418 0.458487
C -2.827853 -1.978626 -0.485835
C -1.901035 0.907114 1.229660
C -0.276018 2.611434 -0.277751
C 1.404967 1.487156 -2.297460
C 3.518062 0.476631 -0.622115
C 3.055725 -1.885377 0.814070
C -2.193781 2.286715 1.216103
C -1.366924 3.118585 0.444530
C 4.609103 -0.246966 -0.092491
C 4.379447 -1.434617 0.636267
C -4.912798 -2.986798 -1.385505
H -2.414840 -1.753101 1.636555
H -1.543527 -3.079862 0.856068
H 0.606696 -2.851959 0.590505
H -3.134948 -0.921262 -0.681526
H -2.295136 -2.326686 -1.392031
H -2.546699 0.255165 1.825236
H 0.356584 3.295600 -0.847552
H 2.017301 0.848545 -2.956158
H 1.957070 2.439617 -2.135628
H 0.461042 1.724787 -2.816129
H 3.710914 1.395248 -1.184450
H 2.868183 -2.818167 1.359782
H -3.039460 2.692164 1.777152
H 5.630131 0.116208 -0.254035
H 5.217734 -2.006884 1.046826
H -4.456958 -2.655309 0.627457
H -4.392699 -3.433577 -2.253328
H -5.345676 -2.012067 -1.721036
H -5.746822 -3.659107 -1.116301


