%chk=000250357.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250357

0 1
Cl 4.428982 -1.006251 1.650006
O -3.991793 1.927679 1.549519
O 2.310772 -0.656766 -1.725097
O 7.153748 -0.839810 1.224519
O 7.223695 0.523863 -0.558104
N 2.125773 0.661431 0.171361
C -2.066116 0.861302 0.694706
C 0.702216 0.704305 0.311195
C -3.533764 0.990980 0.926261
C -4.424625 -0.074397 0.365182
C -1.542898 0.173422 -0.409191
C -1.190317 1.487606 1.599197
C -0.165536 0.089410 -0.607423
C 0.187397 1.408814 1.422422
C -4.108520 -1.431653 0.515429
C -5.610579 0.304943 -0.279025
C -4.972286 -2.406064 0.008862
C -6.466600 -0.673071 -0.793146
C -6.147726 -2.027243 -0.649419
C 2.833606 -0.017915 -0.838489
C 4.321339 0.156655 -0.753449
C 5.080851 -0.270125 0.257688
C 6.565905 -0.122800 0.221134
H -2.216013 -0.298359 -1.130506
H -1.606934 2.043513 2.445793
H 0.230466 -0.452197 -1.473716
H 0.850395 1.893299 2.135373
H -3.194962 -1.726831 1.032667
H -5.862666 1.363443 -0.368620
H 2.659686 1.147006 0.899703
H -4.730618 -3.461113 0.127722
H -7.384958 -0.379162 -1.299256
H -6.817461 -2.789064 -1.047166
H 4.761067 0.628765 -1.648139
H 8.152374 -0.761517 1.211608


%chk=000250357-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250357

0 1
Cl 4.801647 1.080390 1.896425
O -3.907755 1.829168 1.629407
O 2.464736 -0.859552 -1.735150
O 7.542084 0.604158 1.200163
O 7.295154 -0.512092 -0.824978
N 2.189762 0.280219 0.305434
C -2.041385 0.625054 0.719133
C 0.776942 0.370511 0.387027
C -3.511832 0.849406 0.918427
C -4.520630 -0.069655 0.287233
C -1.494714 -0.003378 -0.431575
C -1.146719 1.145892 1.695204
C -0.103574 -0.131343 -0.610837
C 0.238643 1.013260 1.540781
C -4.264322 -1.448851 0.056941
C -5.807074 0.455388 -0.012152
C -5.273685 -2.281159 -0.474750
C -6.807187 -0.372250 -0.559087
C -6.542375 -1.743943 -0.793379
C 2.955248 -0.301921 -0.701148
C 4.445109 -0.271767 -0.559728
C 5.313296 0.216910 0.371667
C 6.789402 0.056857 0.170179
H -2.161253 -0.368969 -1.219063
H -1.569043 1.657918 2.565579
H 0.309590 -0.604307 -1.502603
H 0.914667 1.408482 2.309392
H -3.293147 -1.877483 0.325378
H -5.998456 1.512603 0.199355
H 2.706304 0.697543 1.088525
H -5.072992 -3.346062 -0.635330
H -7.791585 0.044289 -0.798714
H -7.321750 -2.389790 -1.213175
H 4.931309 -0.761881 -1.414795
H 8.509487 0.468455 1.009813


