%chk=000218636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218636

0 1
Cl -5.656816 0.475996 -2.532270
O 4.659222 0.116410 -0.595822
O 4.018395 -1.623897 0.765131
O 1.807805 2.190366 -0.754808
O 0.775225 2.670946 1.803066
N -1.368717 2.216727 1.194863
N 0.278891 0.392138 -0.586076
C 3.215761 0.204331 -0.533197
C 5.154612 -0.803521 0.408191
C 2.790206 -0.984639 0.346645
C 2.866412 1.587693 0.029949
C 6.191803 -1.694064 -0.247326
C 5.632639 -0.029163 1.626016
C 0.467571 1.844187 -0.489763
C 0.024054 2.291610 0.932222
C -2.367709 1.779849 0.270041
C -2.175093 0.657600 -0.569518
C -0.908500 -0.125276 -0.598325
C -1.025557 -1.607982 -0.667382
C -3.596821 2.483121 0.222257
C -1.833351 2.717284 2.518540
C -3.207794 0.260488 -1.438320
C -4.610744 2.083606 -0.637804
C -4.403011 0.970002 -1.464155
C -1.910508 -2.276505 0.193456
C -0.239306 -2.335034 -1.573793
C -2.007853 -3.668581 0.141324
C -0.346398 -3.727846 -1.622388
C -1.228530 -4.394607 -0.766665
H 2.879773 0.116219 -1.589555
H 2.246060 -0.700332 1.260762
H 2.227074 -1.758711 -0.199920
H 3.694302 2.304985 -0.155140
H 2.605484 1.591913 1.100982
H 6.417601 -2.561578 0.384553
H 5.818645 -2.075166 -1.208431
H 7.121890 -1.151104 -0.446945
H 4.802872 0.500361 2.109438
H 6.069293 -0.698988 2.375375
H 6.384853 0.717796 1.348024
H -0.060169 2.440684 -1.285478
H -3.748352 3.358400 0.855950
H -2.652606 2.092907 2.907133
H -2.162835 3.767215 2.456971
H -0.995408 2.674270 3.245639
H -3.066243 -0.608310 -2.089839
H -5.555921 2.629591 -0.676732
H -2.515009 -1.711879 0.902978
H 0.456838 -1.813184 -2.232913
H -2.690540 -4.190193 0.811019
H 0.264341 -4.293744 -2.325397
H -1.307130 -5.480687 -0.804064


%chk=000218636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218636

0 1
Cl -5.480089 0.440472 -3.132240
O 4.789271 0.474108 -0.084927
O 4.175558 -1.732281 0.551999
O 1.687493 2.269430 -0.489747
O 0.456158 2.871450 2.036499
N -1.647890 2.307990 1.197894
N 0.203995 0.383671 -0.203915
C 3.298564 0.378917 -0.055067
C 5.343140 -0.886134 0.171182
C 3.084084 -0.802370 0.907283
C 2.761299 1.752654 0.391135
C 5.935976 -1.476892 -1.110204
C 6.334763 -0.771838 1.333877
C 0.338238 1.848731 -0.233506
C -0.241380 2.392643 1.104366
C -2.501112 1.849380 0.144137
C -2.222699 0.661327 -0.613240
C -0.984687 -0.152381 -0.406570
C -1.072759 -1.644065 -0.457990
C -3.711189 2.557423 -0.101322
C -2.263281 2.898740 2.413154
C -3.152320 0.248232 -1.608739
C -4.622049 2.137777 -1.085833
C -4.321477 0.983847 -1.838515
C -2.237890 -2.335023 -0.026371
C 0.046491 -2.396808 -0.907335
C -2.278959 -3.745954 -0.040126
C 0.001312 -3.804995 -0.926534
C -1.161399 -4.485510 -0.491404
H 2.919055 0.145566 -1.068578
H 3.176640 -0.468387 1.962093
H 2.133213 -1.330155 0.760012
H 3.569688 2.490847 0.271521
H 2.427478 1.754649 1.442518
H 6.221016 -2.530692 -0.944834
H 5.191633 -1.434800 -1.922522
H 6.830668 -0.907527 -1.415521
H 5.812407 -0.433331 2.244523
H 6.804640 -1.750350 1.534077
H 7.123134 -0.038493 1.090060
H -0.236943 2.306669 -1.066734
H -3.934039 3.460299 0.474180
H -3.183858 2.348779 2.663976
H -2.493803 3.971908 2.278481
H -1.534446 2.814133 3.233569
H -2.942628 -0.650450 -2.195107
H -5.540529 2.701603 -1.271472
H -3.102934 -1.771516 0.339745
H 0.937487 -1.860780 -1.249791
H -3.178686 -4.267116 0.304647
H 0.869805 -4.371225 -1.279389
H -1.195461 -5.580469 -0.504896


