%chk=000297927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297927

0 1
Cl 5.223330 -1.702595 2.006450
N 0.813613 0.517855 0.247583
N 3.628553 -0.111909 0.070618
N -6.036871 -1.323389 -0.841440
N -7.021327 0.159727 0.609872
C 1.364369 -0.295737 -0.886436
C 1.636201 0.279813 1.480868
C 2.819094 0.135525 -1.165810
C 3.093179 0.704900 1.211405
C -0.627750 0.190966 0.501440
C -1.496087 0.906965 -0.551660
C 5.053791 0.018100 -0.100206
C -2.955502 0.736573 -0.230453
C -3.674884 -0.307833 -0.804250
C 5.895299 -0.725812 0.755894
C 5.657324 0.780672 -1.118808
C -3.572510 1.651083 0.669225
C -5.030330 -0.415085 -0.460049
C -5.660747 0.506600 0.447762
C -4.909879 1.551309 1.014245
C 7.283147 -0.710618 0.611661
C 7.045313 0.789440 -1.271177
C 7.860471 0.050288 -0.408874
C -7.227291 -0.922014 -0.157660
C -8.494578 -1.661248 -0.327003
H 0.746995 -0.101640 -1.789308
H 1.331124 -1.390074 -0.688839
H 1.614277 -0.779820 1.818877
H 1.222908 0.902630 2.302948
H 3.235912 -0.479705 -1.991858
H 2.836707 1.199859 -1.488621
H 3.135761 1.795567 0.995132
H 3.707329 0.522503 2.118457
H -0.841434 -0.899065 0.495548
H -0.907854 0.561466 1.512939
H -1.264750 0.525536 -1.565873
H -1.220251 1.983340 -0.585050
H -3.213819 -1.011020 -1.488236
H 5.043366 1.376419 -1.791737
H -2.966271 2.450934 1.093019
H -5.385080 2.250201 1.700878
H 7.909703 -1.295009 1.286551
H 7.495262 1.382860 -2.066815
H -5.927728 -2.093918 -1.470409
H 8.941743 0.063649 -0.530242
H -8.410053 -2.708172 0.000355
H -9.295422 -1.199147 0.281124
H -8.842353 -1.652769 -1.370735


%chk=000297927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297927

0 1
Cl 5.187900 -1.425790 2.337702
N 0.832508 0.639487 0.283559
N 3.674463 0.134296 0.048475
N -6.087780 -1.298473 -0.945335
N -7.070215 -0.042529 0.685639
C 1.395658 -0.093545 -0.875667
C 1.670903 0.401608 1.487360
C 2.844715 0.346330 -1.155812
C 3.116266 0.850946 1.226360
C -0.600188 0.339277 0.522969
C -1.536453 1.004411 -0.521818
C 5.077731 0.027864 -0.104244
C -3.005402 0.770314 -0.197363
C -3.739931 -0.233393 -0.871910
C 5.914804 -0.614288 0.859387
C 5.740241 0.516719 -1.273520
C -3.636796 1.550637 0.823446
C -5.085525 -0.423233 -0.498835
C -5.720871 0.357849 0.525156
C -4.982395 1.360105 1.193510
C 7.306554 -0.728994 0.702645
C 7.131524 0.385204 -1.456039
C 7.928831 -0.225939 -0.463275
C -7.255461 -1.031663 -0.205199
C -8.532361 -1.785513 -0.418819
H 0.786513 0.117183 -1.772740
H 1.385049 -1.200087 -0.700672
H 1.679612 -0.677112 1.783257
H 1.255165 0.988059 2.327461
H 3.250368 -0.259571 -1.985127
H 2.837386 1.417349 -1.468270
H 3.122458 1.947961 1.031786
H 3.734320 0.649694 2.113648
H -0.800350 -0.762454 0.546270
H -0.864305 0.731007 1.523415
H -1.310371 0.608977 -1.530016
H -1.303070 2.085441 -0.535542
H -3.264578 -0.831150 -1.658602
H 5.147109 1.028826 -2.037385
H -3.048336 2.330080 1.323165
H -5.455699 1.968138 1.970364
H 7.892663 -1.235548 1.475462
H 7.594031 0.778061 -2.368268
H -5.994758 -2.003785 -1.673928
H 9.011372 -0.324859 -0.589975
H -8.407808 -2.868515 -0.230331
H -9.289022 -1.396957 0.278931
H -8.914469 -1.664226 -1.449973


