%chk=000216552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216552

0 1
Cl 4.772053 0.470010 1.709821
N -2.078291 -0.585045 -0.143328
N 0.033450 0.472206 -0.386666
C -1.423560 -2.870612 0.361266
C -2.628391 -1.909692 0.275849
C -0.186278 -2.046276 -0.024460
C -0.663426 -0.611623 -0.183353
C -2.796882 0.631969 0.047841
C -4.135439 0.794661 0.017924
C 1.448832 0.469959 -0.522805
C 2.309094 0.421965 0.603621
C -4.702284 2.170143 0.212246
C -5.150834 -0.280383 -0.197302
C 1.981627 0.639471 -1.817268
C 3.684947 0.539686 0.363103
C 1.809673 0.273640 1.999927
C 3.358024 0.759081 -2.004414
C 4.227476 0.704400 -0.910867
H -1.555266 -3.732077 -0.316074
H -1.322164 -3.287604 1.378334
H -3.362308 -2.244403 -0.489630
H -3.161257 -1.831211 1.245429
H 0.268827 -2.404166 -0.968123
H 0.609685 -2.107462 0.741915
H -2.134445 1.508315 0.161228
H -5.189576 2.524087 -0.707468
H -3.941994 2.916398 0.477444
H -5.456287 2.179156 1.010542
H -5.392853 -0.794241 0.742107
H -4.808313 -1.030429 -0.924126
H -6.093697 0.124317 -0.591142
H 1.302992 0.692911 -2.668471
H 2.155397 1.111071 2.628769
H 0.714051 0.270003 2.068713
H 2.184668 -0.649259 2.464840
H 3.759658 0.895814 -3.007866
H 5.303192 0.792921 -1.048856


%chk=000216552-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216552

0 1
Cl 4.798327 1.687499 1.728330
N -2.068468 -0.775644 -0.113225
N 0.072989 0.240106 -0.042143
C -1.486972 -3.088294 -0.179119
C -2.684234 -2.111917 -0.304256
C -0.276514 -2.245221 -0.650118
C -0.670231 -0.814919 -0.267014
C -2.732055 0.415707 0.258040
C -4.064911 0.723457 0.294864
C 1.464733 0.292082 -0.271719
C 2.299775 0.872956 0.746407
C -4.466150 2.097509 0.812714
C -5.242079 -0.133343 -0.141429
C 2.040762 -0.117031 -1.510658
C 3.676944 0.977848 0.454449
C 1.705630 1.329992 2.060773
C 3.421953 0.022257 -1.749694
C 4.266196 0.569939 -0.758199
H -1.635054 -4.002185 -0.777474
H -1.353190 -3.384478 0.876228
H -3.161469 -2.186635 -1.302204
H -3.455356 -2.289184 0.464428
H -0.145372 -2.321432 -1.746308
H 0.680142 -2.533420 -0.184757
H -2.000585 1.179625 0.544696
H -5.021842 2.667275 0.040699
H -3.591339 2.697332 1.116706
H -5.140607 2.011209 1.688977
H -5.887213 -0.392785 0.722881
H -4.960813 -1.066637 -0.649363
H -5.879776 0.443508 -0.840791
H 1.386716 -0.506531 -2.298175
H 2.126065 2.301519 2.372873
H 0.611679 1.411533 1.961948
H 1.924813 0.609647 2.872581
H 3.846820 -0.288410 -2.710359
H 5.340786 0.684768 -0.921887


