%chk=000227532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227532

0 1
Cl 1.445100 -3.816846 0.172759
N 2.691083 1.826861 -0.147377
N -0.334205 0.834025 -0.261987
N 4.420202 0.341784 0.080312
N 0.623596 -1.339685 -0.027762
N 3.041227 -1.735049 0.149423
C 2.104783 0.554042 -0.074267
C -1.697248 0.358606 -0.227148
C 0.779062 0.012473 -0.106712
C -2.649230 1.018354 0.586234
C 3.221095 -0.372342 0.063121
C -2.083322 -0.712441 -1.049428
C -3.983902 0.600470 0.530052
C -4.376413 -0.465302 -0.293995
C 4.078543 1.646328 -0.051818
C -3.415821 -1.119856 -1.080172
C 1.996595 3.099623 -0.346392
C -2.260112 2.139600 1.496217
C -5.807779 -0.889856 -0.340881
C 1.755050 -2.127486 0.088291
H -0.211608 1.825849 -0.072097
H -1.337249 -1.236506 -1.652255
H -4.728499 1.104461 1.143945
H 4.787888 2.465412 -0.078578
H -3.705881 -1.954962 -1.715840
H 2.719904 3.921078 -0.507197
H 1.342999 3.061345 -1.239997
H 1.387823 3.364183 0.538265
H -1.406256 1.867049 2.133123
H -2.007330 3.049106 0.936681
H -3.075764 2.413041 2.182659
H -6.314692 -0.754633 0.624081
H -6.364196 -0.302844 -1.086723
H -5.920443 -1.948384 -0.613038


%chk=000227532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227532

0 1
Cl 1.803190 -3.842337 -1.238767
N 2.645959 1.780274 0.181210
N -0.312445 0.586198 0.002619
N 4.482113 0.461699 -0.245635
N 0.822205 -1.438177 -0.572403
N 3.251852 -1.629738 -0.732655
C 2.150635 0.500257 -0.129932
C -1.678636 0.172073 -0.044912
C 0.860277 -0.115253 -0.232064
C -2.661439 1.169111 0.259266
C 3.313136 -0.300964 -0.390602
C -2.087978 -1.146760 -0.368670
C -4.024946 0.804138 0.225040
C -4.456333 -0.506726 -0.100875
C 4.041983 1.683051 0.091925
C -3.459735 -1.469566 -0.390970
C 1.901501 2.995823 0.531191
C -2.262669 2.593476 0.616478
C -5.933514 -0.853938 -0.158774
C 1.995232 -2.085331 -0.793378
H -0.188211 1.566848 0.252270
H -1.328602 -1.895986 -0.593407
H -4.776148 1.569055 0.461053
H 4.682899 2.541735 0.286326
H -3.754931 -2.495901 -0.639904
H 2.620447 3.811004 0.711597
H 1.235894 3.311776 -0.292939
H 1.313833 2.855918 1.456975
H -1.625647 2.639502 1.524648
H -1.720731 3.099466 -0.209883
H -3.156391 3.202960 0.827432
H -6.520616 -0.259575 0.564013
H -6.352319 -0.654083 -1.164670
H -6.104865 -1.922528 0.059895


