%chk=000004580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004580

0 1
Cl 1.474669 3.421530 0.573433
O 5.483436 -0.264999 -0.236114
O 1.980809 -2.560222 0.117835
O 4.468392 -2.293953 0.025226
O -0.782591 -2.370085 1.323153
O -3.936708 -3.856533 0.000300
O -2.331058 -3.531742 -1.674444
N -1.708275 -1.018730 -0.318453
C 4.243099 1.849264 0.253113
C 5.297636 1.182070 -0.641463
C 2.953577 1.052212 0.252757
C 3.044253 -0.365594 0.132590
C 1.884413 -1.199347 0.204812
C 0.597379 -0.595001 0.341628
C 1.674253 1.611047 0.398533
C 4.349717 -1.030608 -0.027828
C -3.026317 -1.637482 -0.193363
C 6.685767 1.807276 -0.556354
C 0.510540 0.811254 0.430459
C -4.093798 -0.823192 -0.990299
C -0.656634 -1.424517 0.491309
C -4.180768 0.623039 -0.523576
C -3.008811 -3.085506 -0.711475
C -4.788694 0.945127 0.717169
C -3.627932 1.671862 -1.302171
C -4.835487 2.280865 1.172116
C -3.670063 3.011047 -0.849039
C -4.272475 3.318747 0.391942
H 4.061408 2.879390 -0.099248
H 4.634386 1.927949 1.287518
H 4.939323 1.154901 -1.690252
H -3.307181 -1.679351 0.873776
H 7.055155 1.797377 0.483660
H 7.398879 1.247498 -1.183714
H 6.653809 2.853227 -0.910640
H -0.467620 1.286047 0.562180
H -5.062460 -1.337315 -0.854939
H -3.844251 -0.867488 -2.067789
H -1.554622 -0.318305 -1.045168
H 2.972955 -2.809135 0.088708
H -5.229782 0.147040 1.327582
H -3.179121 1.443024 -2.278301
H -5.311271 2.513996 2.131156
H -3.239927 3.809654 -1.463597
H -4.308509 4.355053 0.745324
H -3.929000 -4.789890 -0.344555


%chk=000004580-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000004580

0 1
Cl 1.429495 3.357196 -1.302117
O 5.315303 -0.078366 0.532154
O 1.654352 -2.117446 1.191593
O 4.181679 -1.808681 1.487827
O -1.303904 -1.299477 1.653166
O -4.241562 -3.861970 -1.079812
O -2.385169 -3.371663 -2.392447
N -1.680572 -1.290562 -0.650542
C 4.106816 1.955295 -0.282883
C 5.291722 1.009227 -0.521175
C 2.806378 1.183578 -0.177846
C 2.846421 -0.123426 0.397601
C 1.641782 -0.878007 0.613379
C 0.394090 -0.333215 0.189765
C 1.556984 1.684733 -0.571065
C 4.127944 -0.718067 0.832461
C -3.022946 -1.856051 -0.541670
C 6.659105 1.678949 -0.439102
C 0.366405 0.942840 -0.407184
C -4.150284 -0.833782 -0.941880
C -0.912986 -1.033844 0.479974
C -3.997410 0.508213 -0.241465
C -3.134617 -3.089944 -1.431950
C -4.093786 0.611526 1.170125
C -3.752001 1.685389 -0.993281
C -3.951257 1.860303 1.812492
C -3.606813 2.938658 -0.353632
C -3.706810 3.029079 1.053425
H 4.055941 2.689573 -1.105595
H 4.275847 2.529947 0.650221
H 5.165330 0.483206 -1.488665
H -3.158187 -2.151904 0.513963
H 6.795413 2.168160 0.540857
H 7.461290 0.934144 -0.570284
H 6.756775 2.442041 -1.231992
H -0.593438 1.376885 -0.706704
H -5.119163 -1.306704 -0.694688
H -4.127086 -0.687468 -2.038830
H -1.258523 -1.217924 -1.579416
H 2.617582 -2.318149 1.489518
H -4.263470 -0.287828 1.773679
H -3.681680 1.622421 -2.086678
H -4.021616 1.919874 2.904031
H -3.419940 3.838513 -0.950442
H -3.593291 3.997306 1.553549
H -4.319643 -4.641078 -1.694937


