%chk=000258973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258973

0 1
Cl 6.440487 -0.210586 -0.202201
N -2.343435 0.375106 0.402636
N 0.511125 0.045985 0.013494
N -4.398868 -1.256315 -1.905035
C -1.631863 1.041954 -0.738464
C -1.665305 -0.933603 0.686449
C -3.825386 0.249889 0.194446
C -0.175614 1.331469 -0.321964
C -0.209454 -0.662129 1.116223
C -4.438408 1.643053 -0.037034
C -4.472595 -0.394296 1.433980
C 1.931446 0.041213 0.040296
C -4.149538 -0.599902 -0.990092
C 2.668033 0.989729 -0.711834
C 2.634442 -0.986915 0.716131
C 4.055460 0.908331 -0.790184
C 4.021896 -1.066726 0.636670
C 4.719812 -0.116419 -0.112240
H -2.133571 2.005466 -0.973544
H -1.644436 0.426795 -1.666762
H -1.678874 -1.619972 -0.190500
H -2.192213 -1.449368 1.518128
H -0.159392 2.037651 0.538866
H 0.351884 1.824532 -1.170685
H 0.293195 -1.634440 1.324869
H -0.195211 -0.068243 2.058079
H -4.112917 2.097263 -0.980475
H -5.533833 1.597277 -0.061671
H -4.153251 2.327716 0.774070
H -4.171030 -1.439181 1.574086
H -5.566963 -0.380460 1.364701
H -4.190792 0.154756 2.343429
H 2.151737 1.783617 -1.250119
H 2.091854 -1.735511 1.292110
H 4.618272 1.637742 -1.373981
H 4.558704 -1.862378 1.154720


%chk=000258973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258973

0 1
Cl 6.592899 -0.210874 -0.205846
N -2.367107 0.374220 0.380689
N 0.516450 0.079738 0.073023
N -4.332969 -1.507889 -1.798462
C -1.647705 0.945787 -0.792475
C -1.672449 -0.879234 0.793352
C -3.852773 0.240340 0.202705
C -0.184948 1.270768 -0.436924
C -0.216761 -0.572393 1.180797
C -4.483148 1.617423 -0.150234
C -4.510663 -0.275776 1.513171
C 1.932215 0.033482 0.039444
C -4.167277 -0.729074 -0.907797
C 2.709568 1.144503 -0.409711
C 2.634819 -1.152975 0.416499
C 4.116636 1.069725 -0.492344
C 4.038853 -1.228336 0.346035
C 4.769848 -0.114422 -0.111390
H -2.131857 1.885335 -1.102679
H -1.662698 0.239914 -1.656973
H -1.686819 -1.639249 -0.024120
H -2.172618 -1.307653 1.676478
H -0.165922 2.103326 0.304981
H 0.311778 1.618804 -1.359166
H 0.276998 -1.516122 1.458722
H -0.218759 0.087466 2.078798
H -4.205191 1.971191 -1.155903
H -5.582886 1.541105 -0.119759
H -4.153467 2.358641 0.598589
H -4.248818 -1.321358 1.740989
H -5.608540 -0.222378 1.424199
H -4.185322 0.369399 2.347747
H 2.230024 2.089137 -0.679006
H 2.086730 -2.043187 0.738643
H 4.692691 1.934121 -0.835999
H 4.554584 -2.150407 0.630526


