%chk=000190674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190674

0 1
Cl 0.925546 2.235094 -1.667261
Cl -6.011907 1.968195 1.478131
F 2.895253 -1.132539 1.516379
O -1.208975 0.276634 -1.344121
O 1.106997 -1.753844 0.216730
O 1.277744 -2.856250 -1.794614
N -1.086885 0.218230 0.960195
N 1.140236 -3.996396 0.256209
C 0.942254 -0.495896 -0.487189
C 1.992561 0.449249 0.029437
C -0.441056 -0.007596 -0.162897
C -2.376164 0.677743 0.583709
C -2.433901 0.708947 -0.848149
C 2.070739 1.757818 -0.475286
C 2.929603 0.096248 1.011020
C -3.488294 1.068590 1.336289
C -3.558652 1.116716 -1.562797
C 3.031761 2.667837 -0.038662
C 3.910395 0.981138 1.475596
C 3.951171 2.270416 0.941286
C -4.606084 1.473231 0.610110
C -4.658890 1.503130 -0.800691
C 1.202657 -2.905902 -0.585861
C 1.492276 -5.334819 -0.261331
H 1.049199 -0.662379 -1.601179
H -3.468444 1.052919 2.426283
H -3.569983 1.128276 -2.650265
H 3.064276 3.676344 -0.452097
H 4.622776 0.672409 2.240862
H 4.705598 2.978014 1.290527
H -5.575080 1.833410 -1.295123
H 1.144174 -3.859609 1.265804
H 0.795476 -6.081408 0.159196
H 2.525899 -5.617942 0.001008
H 1.397924 -5.367703 -1.365148


%chk=000190674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190674

0 1
Cl 2.652558 1.302172 -2.488719
Cl -5.863919 3.004431 1.361094
F 1.295056 -0.177778 2.343552
O -1.605582 -0.553367 -0.815885
O 0.930621 -1.756914 0.028531
O 1.578983 -2.477099 -2.139149
N -0.894306 1.201975 0.524193
N 1.376170 -3.953506 -0.314178
C 0.848725 -0.365443 -0.494671
C 1.945978 0.489583 0.108269
C -0.524935 0.155431 -0.193273
C -2.310431 1.241827 0.417670
C -2.748196 0.162559 -0.402194
C 2.837522 1.261885 -0.674278
C 2.150398 0.554853 1.507928
C -3.244594 2.137302 0.977824
C -4.092145 -0.085458 -0.704077
C 3.874593 2.034238 -0.114979
C 3.166993 1.305526 2.115201
C 4.036034 2.049100 1.287506
C -4.595175 1.888520 0.673029
C -5.031047 0.812490 -0.144202
C 1.327786 -2.733613 -0.935996
C 1.742869 -5.179148 -1.029572
H 0.981749 -0.427501 -1.594032
H -2.932404 2.970482 1.610726
H -4.407484 -0.919003 -1.335839
H 4.536621 2.612710 -0.764061
H 3.262808 1.305586 3.204058
H 4.838077 2.644911 1.733862
H -6.098762 0.681704 -0.339523
H 1.136532 -3.981632 0.677435
H 0.915463 -5.912170 -1.016708
H 2.642886 -5.644925 -0.588113
H 1.960758 -4.911423 -2.075329


