%chk=000218656.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218656

0 1
Cl 5.883058 0.607483 1.963635
O -4.596854 0.165042 0.593806
O -3.935099 -1.663032 -0.636051
O -1.790323 2.302751 0.555453
O -0.787583 2.704873 -2.046093
N -0.222151 0.536232 0.480132
N 1.344184 2.280095 -1.460121
C -3.156889 0.277304 0.504438
C -5.084890 -0.842047 -0.327184
C -2.716314 -0.967197 -0.286694
C -2.845088 1.620688 -0.167450
C -6.092274 -1.700086 0.412463
C -5.597072 -0.176626 -1.594377
C -0.446480 1.971178 0.287444
C -0.042653 2.349672 -1.162598
C 0.967062 0.024402 0.483327
C 2.238766 0.779965 0.318600
C 2.393097 1.833606 -0.608873
C 1.079443 -1.449735 0.673269
C 3.337011 0.408977 1.118301
C 3.649925 2.475017 -0.751412
C 4.553132 1.065937 0.975155
C 4.726510 2.095426 0.036472
C 1.889559 -2.202824 -0.191245
C 0.360142 -2.083655 1.697327
C 1.980300 -3.586342 -0.024622
C 0.460569 -3.468347 1.859870
C 1.268678 -4.219440 1.000913
H -2.805514 0.278341 1.559634
H -2.190724 -0.744029 -1.228084
H -2.128829 -1.684049 0.310388
H -3.686710 2.332231 -0.025451
H -2.597842 1.549589 -1.238750
H -7.026963 -1.158602 0.594267
H -6.317053 -2.613539 -0.151371
H -5.692422 -2.006468 1.389436
H -4.787989 0.336523 -2.127724
H -6.022789 -0.913790 -2.284651
H -6.367247 0.568617 -1.365058
H 0.082634 2.630020 1.032582
H 1.623637 2.656303 -2.376137
H 3.228592 -0.400855 1.847751
H 3.769930 3.280731 -1.477112
H 5.695178 2.590247 -0.064884
H 2.441084 -1.710985 -0.992267
H -0.279718 -1.496922 2.358724
H 2.604705 -4.173950 -0.696698
H -0.097999 -3.962304 2.654557
H 1.341870 -5.299228 1.127362


%chk=000218656-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218656

0 1
Cl 5.842458 0.658761 2.560698
O -4.731213 0.491063 0.060869
O -4.056117 -1.722160 -0.480599
O -1.643047 2.362353 0.389036
O -0.498855 2.903708 -2.216621
N -0.125979 0.498095 0.159675
N 1.608402 2.335637 -1.431369
C -3.238642 0.432391 0.060263
C -5.250218 -0.888562 -0.160666
C -2.975039 -0.784063 -0.845147
C -2.739447 1.802986 -0.437096
C -5.863691 -1.445943 1.125982
C -6.214419 -0.837807 -1.350747
C -0.296900 1.957363 0.097408
C 0.213742 2.441146 -1.291116
C 1.074312 -0.018845 0.342208
C 2.332063 0.791521 0.400932
C 2.559701 1.910563 -0.465238
C 1.159883 -1.504184 0.506371
C 3.354433 0.428778 1.323095
C 3.806443 2.592976 -0.421897
C 4.562126 1.137381 1.359739
C 4.813402 2.213319 0.481375
C 2.289168 -2.241681 0.056563
C 0.065987 -2.205672 1.083399
C 2.320727 -3.647517 0.180622
C 0.102312 -3.608294 1.212641
C 1.229920 -4.335192 0.760787
H -2.870636 0.255895 1.089623
H -3.044753 -0.496417 -1.915285
H -2.018190 -1.284620 -0.650109
H -3.555478 2.530135 -0.303103
H -2.448438 1.784448 -1.501252
H -6.774456 -0.882034 1.391344
H -6.127716 -2.509286 0.989534
H -5.139519 -1.364526 1.953414
H -5.678634 -0.515514 -2.259432
H -6.654005 -1.834334 -1.529524
H -7.027421 -0.118122 -1.150764
H 0.304497 2.481194 0.872283
H 1.969329 2.773597 -2.285847
H 3.188707 -0.413014 2.000669
H 3.977113 3.442428 -1.092759
H 5.765939 2.749336 0.514120
H 3.132012 -1.720966 -0.410404
H -0.799128 -1.633573 1.433894
H 3.191949 -4.205350 -0.179539
H -0.746196 -4.134249 1.662900
H 1.257109 -5.425950 0.859467


