%chk=000197542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197542

0 1
Cl 6.574426 -4.043824 2.449411
N -3.322719 -1.077603 -1.563129
N -5.655363 2.828303 2.397660
N -5.025077 2.806791 0.215212
N -5.745866 4.057196 1.814145
N -5.360813 4.023582 0.501923
N 4.027420 -0.312014 0.078608
C -3.173650 -1.685546 -0.297035
C -3.195944 -1.176495 1.026050
C -3.030018 -3.099747 -0.534149
C -3.287124 0.357656 -1.887744
C -3.414237 0.276251 1.335257
C -3.221605 -2.077974 -2.556164
C -3.070140 -3.312020 -1.955659
C -3.040754 -2.087099 2.063425
C -1.927824 0.820021 -2.364502
C -2.886040 -3.988626 0.547191
C -4.921257 0.565427 1.468431
C -2.883754 -3.475491 1.830777
C -0.765865 0.449258 -1.677632
C -1.840988 1.654781 -3.488565
C -5.199703 2.018871 1.397229
C 0.486423 0.918186 -2.107218
C -0.594016 2.115049 -3.918895
C 0.568412 1.752512 -3.234192
C 1.694680 0.513137 -1.369913
C 2.699946 1.354288 -1.079013
C 3.907967 0.955102 -0.338096
C 6.214821 0.241129 1.062450
C 5.168394 -0.683662 0.776674
C 4.927456 1.944687 -0.083630
C 6.056382 1.586278 0.604035
C 7.364215 -0.204018 1.784971
C 5.280983 -2.044132 1.216308
C 7.464059 -1.507865 2.201911
C 6.405639 -2.414504 1.905184
H -3.578259 0.964723 -0.986082
H -4.074272 0.567536 -2.651505
H -2.888523 0.565850 2.268250
H -2.967850 0.919821 0.541394
H -3.277344 -1.830876 -3.602542
H -2.995387 -4.264118 -2.439922
H -3.041564 -1.735540 3.094497
H -2.777796 -5.053886 0.358590
H -5.306983 0.139999 2.421991
H -5.482531 0.040399 0.659050
H -2.764316 -4.137026 2.686517
H -0.830836 -0.209020 -0.808754
H -2.740409 1.948598 -4.026848
H -0.528115 2.760337 -4.794290
H 1.537748 2.107171 -3.580117
H 1.723629 -0.539935 -1.054711
H 2.666777 2.404956 -1.377529
H -6.064212 4.882193 2.317465
H 4.780852 2.960630 -0.442952
H 6.844689 2.310793 0.811933
H 8.158966 0.511445 1.998067
H 4.470569 -2.740782 0.989840
H 8.333197 -1.865453 2.754041


%chk=000197542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197542

0 1
Cl 6.943376 -4.831546 0.869042
N -2.868995 -1.385479 -1.235061
N -7.045225 2.659056 0.640522
N -5.571178 2.552244 -1.117510
N -7.073912 3.776607 -0.154122
N -6.196932 3.751127 -1.226867
N 4.371536 -0.433541 -0.141283
C -3.084673 -1.641614 0.140524
C -3.612022 -0.830685 1.189376
C -2.674865 -3.008487 0.379637
C -2.975539 -0.115909 -1.973006
C -4.155348 0.576639 0.996465
C -2.337738 -2.548372 -1.824652
C -2.212165 -3.554897 -0.875988
C -3.681590 -1.427176 2.469614
C -1.830113 0.871296 -1.728365
C -2.773510 -3.567221 1.680426
C -5.628726 0.555095 0.465547
C -3.270545 -2.766324 2.721630
C -0.534571 0.430755 -1.381354
C -2.069295 2.258022 -1.899437
C -6.091247 1.903609 0.011396
C 0.542531 1.347241 -1.209645
C -1.008560 3.181244 -1.740305
C 0.282906 2.736786 -1.401821
C 1.862301 0.815487 -0.845115
C 3.013308 1.530524 -0.639318
C 4.298911 0.918798 -0.275178
C 6.784713 -0.213289 0.427100
C 5.583834 -0.998485 0.202817
C 5.448970 1.768179 -0.069382
C 6.674487 1.207643 0.277054
C 8.001264 -0.876873 0.781064
C 5.646161 -2.425338 0.342427
C 8.047927 -2.266992 0.913355
C 6.855234 -3.017939 0.688345
H -3.938705 0.379648 -1.764175
H -2.998036 -0.378645 -3.048485
H -4.144137 1.110504 1.964207
H -3.528979 1.167464 0.306658
H -2.092198 -2.553367 -2.886292
H -1.837746 -4.561870 -1.050689
H -4.073003 -0.825622 3.299872
H -2.461899 -4.601446 1.863320
H -6.303111 0.183504 1.255244
H -5.699364 -0.152996 -0.380612
H -3.347817 -3.168691 3.737645
H -0.349414 -0.639779 -1.228540
H -3.080574 2.609934 -2.136501
H -1.199619 4.251831 -1.874372
H 1.088863 3.468516 -1.279584
H 1.940530 -0.273622 -0.721070
H 3.020784 2.623771 -0.739424
H -7.692707 4.566282 0.027716
H 5.339510 2.851202 -0.189116
H 7.556151 1.838952 0.437007
H 8.907552 -0.283673 0.950387
H 4.735613 -3.004750 0.172827
H 8.974096 -2.781632 1.183741


