%chk=000269226.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269226

0 1
Cl 5.676510 3.413839 -0.145977
O -4.058354 2.049710 0.109407
O -4.388232 -0.043702 -0.743633
N 2.154950 -1.334161 0.235180
N -2.054503 -1.627523 -0.129489
N -2.261987 0.744730 0.002058
N 1.020534 -3.849089 0.072634
N -1.951637 -3.970708 -0.133535
C 0.766344 -1.398556 0.110268
C 0.158517 -2.689002 -0.000724
C -0.050966 -0.250980 0.127272
C 2.959461 -0.160464 0.138786
C -1.444496 -0.416268 0.000578
C -1.253580 -2.746516 -0.113305
C 4.102389 -0.078931 0.964611
C 2.676153 0.862349 -0.787060
C 4.944098 1.027665 0.872813
C 3.517366 1.971789 -0.871141
C 4.638105 2.041706 -0.040139
C -3.649931 0.773813 -0.261467
C -5.478698 2.354227 -0.134728
C -5.625979 3.772596 0.369505
H 2.647177 -2.223180 0.406738
H 0.381316 0.733597 0.265976
H 4.324280 -0.870936 1.678851
H 1.813170 0.782530 -1.450096
H -1.827721 1.623417 0.310027
H 0.692601 -4.483720 0.799999
H 1.013439 -4.354514 -0.810304
H 5.828087 1.104100 1.507703
H 3.306213 2.770831 -1.583451
H -2.958373 -3.890217 -0.277123
H -1.543744 -4.716846 -0.676657
H -5.662345 2.245872 -1.217551
H -6.079321 1.618246 0.427841
H -6.657688 4.127660 0.257690
H -5.354350 3.850832 1.431819
H -4.968305 4.464204 -0.175076


%chk=000269226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269226

0 1
Cl 6.125234 3.277490 -0.020068
O -4.169368 2.094049 0.024391
O -4.660466 -0.206825 -0.134190
N 2.093709 -1.244053 0.212084
N -2.110287 -1.679780 -0.160416
N -2.432709 0.671195 -0.003717
N 1.063200 -3.745401 -0.003044
N -1.858911 -3.989861 -0.276551
C 0.708111 -1.301836 0.060119
C 0.159940 -2.621242 -0.050930
C -0.172971 -0.188509 0.073012
C 2.982580 -0.153210 0.156815
C -1.565085 -0.448373 -0.032399
C -1.253676 -2.749387 -0.163179
C 4.238653 -0.277420 0.819010
C 2.716365 1.037889 -0.577336
C 5.196575 0.753917 0.761771
C 3.667873 2.078534 -0.626933
C 4.895279 1.928541 0.044944
C -3.825481 0.714683 -0.049011
C -5.628993 2.375428 -0.004798
C -5.787110 3.889547 0.100960
H 2.480101 -2.190354 0.356880
H 0.192770 0.828615 0.227475
H 4.459268 -1.185341 1.392228
H 1.792324 1.137458 -1.151833
H -1.992342 1.589812 0.075453
H 0.926001 -4.417317 0.756900
H 1.335190 -4.173003 -0.893084
H 6.155938 0.648629 1.276526
H 3.458867 2.986812 -1.199953
H -2.872848 -4.010205 -0.360131
H -1.311052 -4.839670 -0.366335
H -6.047658 1.974016 -0.946006
H -6.108641 1.843031 0.836976
H -6.859662 4.156129 0.081575
H -5.352555 4.266466 1.042789
H -5.287665 4.397947 -0.741693


