%chk=000220943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220943

0 1
Cl 4.863461 -3.222615 0.333494
Cl 6.208830 -0.727279 0.086776
Cl 4.181673 -1.059884 2.068776
Cl -4.862714 -3.223706 -0.333193
Cl -6.208750 -0.728702 -0.086739
Cl -4.181364 -1.060917 -2.068575
O 4.088248 -1.279087 -1.883397
O -4.088195 -1.279798 1.883613
N 2.329459 -1.640615 -0.343881
N -2.329207 -1.641086 0.344289
N 0.000130 -1.672504 0.000208
N -1.194858 0.460955 0.187351
N 1.194627 0.461196 -0.187319
C 3.615445 -0.979367 -0.599293
C -3.615352 -0.980085 0.599526
C 1.150853 -0.924248 -0.179156
C -1.150765 -0.924481 0.179440
C -0.000189 1.111020 -0.000031
C -0.000364 2.590553 -0.000213
C 4.669657 -1.472946 0.447105
C -4.669360 -1.473997 -0.446914
C 1.031655 3.294505 -0.645918
C -1.032547 3.294423 0.645321
C 1.026404 4.690921 -0.644344
C -1.027617 4.690840 0.643411
C -0.000687 5.389176 -0.000552
H 3.538013 0.149731 -0.592852
H -3.538163 0.149029 0.592988
H 2.272963 -2.663662 -0.330524
H -2.272480 -2.664123 0.331141
H 1.835423 2.748410 -1.145969
H -1.836186 2.748264 1.145509
H 1.825245 5.235919 -1.145414
H -1.826582 5.235775 1.144351
H -0.000814 6.478999 -0.000684
H 4.187681 -2.242499 -2.066683
H -4.187474 -2.243216 2.066951


%chk=000220943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220943

0 1
Cl 4.861201 -3.445781 -0.138994
Cl 6.317483 -0.786839 0.025162
Cl 4.247043 -1.474776 2.105898
Cl -4.860629 -3.446809 0.139654
Cl -6.317394 -0.788162 -0.025005
Cl -4.246819 -1.476109 -2.105603
O 3.986893 -0.988421 -1.977468
O -3.986736 -0.989009 1.977679
N 2.307373 -1.607070 -0.324895
N -2.307119 -1.607539 0.325162
N 0.000131 -1.642476 0.000125
N -1.198103 0.473079 0.172957
N 1.197880 0.473325 -0.173093
C 3.582566 -0.977262 -0.581336
C -3.582444 -0.977972 0.581536
C 1.134559 -0.893102 -0.161550
C -1.134469 -0.893335 0.161668
C -0.000189 1.119092 -0.000143
C -0.000359 2.601097 -0.000256
C 4.692888 -1.609220 0.313370
C -4.692647 -1.610302 -0.313054
C 1.193062 3.316640 -0.286892
C -1.193948 3.316405 0.286265
C 1.190649 4.726143 -0.288273
C -1.191869 4.725908 0.287412
C -0.000694 5.435067 -0.000490
H 3.488864 0.090876 -0.330546
H -3.488976 0.090148 0.330582
H 2.226713 -2.626701 -0.298758
H -2.226230 -2.627157 0.299206
H 2.102793 2.751581 -0.509096
H -2.103546 2.751168 0.508558
H 2.112878 5.272813 -0.513173
H -2.114228 5.272398 0.512220
H -0.000824 6.530966 -0.000581
H 4.104027 -1.926600 -2.285278
H -4.103681 -1.927166 2.285629


