%chk=000216377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216377

0 1
Cl -1.674670 1.668102 -2.067430
O -2.300813 -1.615109 -1.301605
O -0.702444 -2.971889 1.230974
O 3.989612 0.653348 0.280190
N -4.820582 2.238053 -0.444401
N 1.422289 -0.955789 0.554773
C -3.385460 1.089783 -1.980349
C -3.566588 0.256380 -0.743407
C -3.066808 -0.979285 -0.352648
C -4.422020 0.974941 0.152548
C -0.332343 -2.538241 -0.092460
C -1.583704 -2.822510 -0.940349
C -4.254109 2.323924 -1.614879
C 0.079104 -1.055144 -0.088908
C -3.741449 0.429449 -3.285841
C -3.374546 -1.484100 0.933066
C -4.761718 0.480902 1.398031
C -4.212042 -0.764071 1.775324
C 1.749222 0.455102 0.928879
C 3.174237 0.511515 1.484750
C 5.359047 0.687114 0.418692
C 6.053343 0.596947 1.630581
C 6.026762 0.827344 -0.816599
C 7.452582 0.648224 1.596087
C 7.416303 0.875463 -0.816565
C 8.134329 0.785913 0.386547
H 0.507487 -3.196860 -0.419775
H -1.326102 -3.205574 -1.946765
H -2.258428 -3.531958 -0.423656
H -4.347937 3.163534 -2.294468
H -0.662455 -0.470397 0.505334
H 0.028862 -0.635336 -1.118880
H -3.562852 1.083215 -4.149219
H -3.140486 -0.484387 -3.433407
H -4.797395 0.122744 -3.305614
H -2.924298 -2.422964 1.269055
H -5.418394 1.034049 2.065256
H 2.143243 -1.300659 -0.095574
H -4.451350 -1.165310 2.762499
H 1.658081 1.169787 0.076673
H 1.029567 0.788724 1.710398
H 3.469764 -0.411235 2.014910
H 3.337024 1.396719 2.122332
H -0.062100 -2.611195 1.889851
H 5.539847 0.489719 2.578453
H 5.448660 0.896717 -1.733970
H 8.010790 0.579328 2.529908
H 7.953218 0.984014 -1.759079
H 9.220124 0.824758 0.372135


%chk=000216377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216377

0 1
Cl -1.805491 2.108250 -1.828849
O -2.305787 -1.406081 -1.347501
O 0.032948 -2.748368 0.253998
O 3.947042 0.289363 -0.175970
N -4.385661 2.290196 0.788614
N 1.594401 -1.121995 -0.925323
C -3.547432 1.366644 -1.263026
C -3.331559 0.378438 -0.149451
C -2.755499 -0.905551 -0.120153
C -3.840851 0.964335 1.043701
C -0.216510 -2.813319 -1.174935
C -1.727814 -2.761598 -1.459553
C -4.213334 2.517953 -0.497084
C 0.573499 -1.635698 -1.877707
C -4.247196 0.896338 -2.537443
C -2.671692 -1.585110 1.130182
C -3.799544 0.300919 2.277054
C -3.195255 -0.985189 2.296577
C 1.608973 0.347928 -0.714701
C 2.635346 0.715126 0.352661
C 5.084199 0.506216 0.624972
C 5.051493 1.112827 1.904932
C 6.312825 0.075012 0.065994
C 6.261356 1.281386 2.618905
C 7.508161 0.250186 0.790671
C 7.490958 0.854361 2.072345
H 0.142406 -3.792601 -1.568430
H -1.921701 -3.038762 -2.511350
H -2.260805 -3.468361 -0.796720
H -4.517985 3.453830 -0.973701
H -0.131492 -0.819787 -2.111963
H 1.023265 -1.986448 -2.825170
H -4.358133 1.727214 -3.254095
H -3.672102 0.082546 -3.005351
H -5.252331 0.512034 -2.279329
H -2.134622 -2.533574 1.199099
H -4.207938 0.764777 3.178776
H 2.546044 -1.460853 -1.117310
H -3.114783 -1.528387 3.244616
H 1.843605 0.902546 -1.648996
H 0.605954 0.670306 -0.380584
H 2.424689 0.182582 1.301895
H 2.634794 1.808723 0.531535
H 0.813974 -2.073047 0.290131
H 4.111021 1.450792 2.349810
H 6.308356 -0.386381 -0.926591
H 6.235166 1.750005 3.609188
H 8.455682 -0.084774 0.354094
H 8.421766 0.988851 2.632935


