%chk=000227522.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227522

0 1
Cl 1.808931 3.671598 -0.436340
N -1.204889 -0.302464 -0.404942
N 0.307726 1.527560 -0.369636
N 3.386518 -1.156528 0.187938
N 2.737827 1.241494 -0.111435
N 2.731366 -2.363359 0.241735
C -2.393370 0.594908 -0.538389
C -3.471609 -0.132560 -1.365835
C -2.919072 1.011260 0.849867
C -4.158045 -1.269152 -0.598423
C -3.593920 -0.141122 1.600685
C -4.697936 -0.789495 0.755326
C 0.074804 0.168625 -0.271638
C 1.179605 -0.716451 -0.071759
C 2.488347 -0.112506 -0.003105
C 1.408507 -2.122926 0.087538
C 1.607377 1.965812 -0.291703
C 4.846476 -1.068981 0.321964
H -2.065999 1.520510 -1.092319
H -3.035123 -0.517813 -2.307745
H -4.229993 0.616110 -1.673230
H -3.636422 1.845287 0.717793
H -2.087627 1.429444 1.452554
H -3.455009 -2.109631 -0.447290
H -4.986238 -1.679515 -1.208471
H -4.019532 0.233710 2.551599
H -2.841176 -0.899244 1.888260
H -5.519301 -0.064322 0.594401
H -5.145696 -1.638451 1.305215
H -1.390121 -1.284669 -0.218693
H 0.674287 -2.911752 0.090341
H 5.173688 -1.475173 1.297376
H 5.346796 -1.647406 -0.477238
H 5.167024 -0.010299 0.250299


%chk=000227522-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227522

0 1
Cl 1.772374 3.714014 -0.197932
N -1.219831 -0.323264 -0.444229
N 0.293249 1.473501 -0.297353
N 3.385276 -1.160295 0.177614
N 2.704702 1.200506 0.010265
N 2.776619 -2.423200 0.142516
C -2.389970 0.577945 -0.603747
C -3.508739 -0.161160 -1.376788
C -2.907035 1.081660 0.772611
C -4.168109 -1.290814 -0.543640
C -3.547799 -0.053053 1.605579
C -4.677799 -0.760796 0.818821
C 0.064217 0.116609 -0.285215
C 1.179746 -0.776106 -0.117660
C 2.458994 -0.148774 0.025163
C 1.446533 -2.181417 -0.035807
C 1.569297 1.901609 -0.157261
C 4.829539 -1.029872 0.357726
H -2.033355 1.446889 -1.184614
H -3.112085 -0.555039 -2.332409
H -4.284607 0.586151 -1.633345
H -3.661525 1.871868 0.582084
H -2.072972 1.559053 1.317630
H -3.446767 -2.118570 -0.367108
H -5.000519 -1.736689 -1.120489
H -3.940994 0.355595 2.555625
H -2.769392 -0.794367 1.880542
H -5.502188 -0.039896 0.640267
H -5.101996 -1.590188 1.416695
H -1.387841 -1.329445 -0.413939
H 0.768043 -3.031233 -0.094513
H 5.136070 -1.474585 1.319025
H 5.364054 -1.538116 -0.461909
H 5.073010 0.043976 0.350494


