%chk=000183317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183317

0 1
Cl -0.764561 3.232787 1.981222
N 0.200071 -1.480662 0.481057
N -1.937524 -0.630102 0.071949
N -0.264853 0.780006 1.193660
N -4.098860 0.304288 -0.283519
N -2.495917 1.662073 0.781862
C 1.662120 -1.494824 0.854705
C 2.402295 -0.571370 -0.117314
C 1.842317 -1.088985 2.321709
C 2.124784 -2.959073 0.698522
C 2.666564 0.762999 0.222584
C 2.798386 -1.040601 -1.379831
C -0.659004 -0.415839 0.587604
C 3.339081 1.603570 -0.669717
C 3.470882 -0.201199 -2.271401
C 3.747360 1.122934 -1.916502
C -2.820435 0.426109 0.190512
C -4.571571 -0.945448 -0.939019
C -1.224932 1.745530 1.243940
C -6.031716 -0.800303 -1.343845
H 1.249052 -1.718333 2.993897
H 2.892175 -1.161898 2.624365
H 1.522639 -0.049138 2.507977
H 3.204001 -3.034165 0.888374
H 1.625975 -3.621692 1.415651
H 1.951429 -3.361475 -0.305985
H -0.164346 -2.311512 0.004634
H 2.323935 1.162216 1.182249
H 2.581076 -2.065024 -1.679184
H 3.536262 2.637597 -0.391710
H 3.776121 -0.578237 -3.245317
H 4.271567 1.776800 -2.610478
H -4.737761 1.092832 -0.196241
H -3.926819 -1.159479 -1.825209
H -4.431351 -1.801451 -0.235729
H -6.686310 -0.615616 -0.482077
H -6.186248 0.016711 -2.060589
H -6.390084 -1.720026 -1.825907


%chk=000183317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183317

0 1
Cl -0.774988 3.441245 1.389882
N 0.179964 -1.453059 0.516860
N -1.970811 -0.708208 0.024494
N -0.294710 0.835569 0.914858
N -4.113139 0.155600 -0.437352
N -2.522608 1.647158 0.406002
C 1.616085 -1.400188 0.926347
C 2.406132 -0.453118 -0.011660
C 1.721385 -1.014258 2.423667
C 2.157075 -2.846368 0.733378
C 3.404025 0.427654 0.469918
C 2.179716 -0.513796 -1.411506
C -0.706648 -0.413763 0.487516
C 4.157312 1.225113 -0.422163
C 2.926754 0.281924 -2.304923
C 3.925280 1.155149 -1.813424
C -2.837028 0.347500 0.005605
C -4.631177 -1.137941 -0.911898
C -1.258173 1.773596 0.831889
C -6.112391 -1.008215 -1.302126
H 1.098623 -1.702530 3.022300
H 2.762931 -1.105073 2.779448
H 1.367255 0.015916 2.585207
H 3.226695 -2.881230 0.997739
H 1.615005 -3.557156 1.385816
H 2.060500 -3.172717 -0.318315
H -0.208352 -2.348843 0.213584
H 3.588814 0.517042 1.544531
H 1.395943 -1.173597 -1.803599
H 4.918689 1.907488 -0.027214
H 2.728997 0.225307 -3.381563
H 4.506121 1.776874 -2.503963
H -4.713074 0.982345 -0.438144
H -4.028005 -1.480922 -1.774553
H -4.499863 -1.895932 -0.116617
H -6.729054 -0.695660 -0.439392
H -6.251002 -0.273077 -2.116482
H -6.496479 -1.979829 -1.657250


