%chk=000259184.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259184

0 1
Cl 5.018289 1.885446 3.054674
O 2.944749 -0.515226 -1.859274
O -0.374148 3.027755 0.027073
O -3.307977 -3.151352 0.275689
O 0.323548 1.833520 -1.638231
O -1.817376 -3.070450 -1.286969
O -5.193756 2.720805 0.644930
O -6.099301 0.752805 0.754584
N 1.696181 -2.386120 -0.196691
N -0.428489 2.065679 -0.713796
N -2.553223 -2.553473 -0.468674
N -5.168963 1.509100 0.554526
C 0.569360 -1.536199 0.303212
C -0.108218 -0.921351 -0.943743
C 2.955429 -2.203619 0.601484
C -1.409209 -0.284059 -0.606146
C 3.429061 -0.774310 0.527293
C 1.305432 -3.822177 -0.275320
C -1.554149 1.117604 -0.467940
C -2.564741 -1.069607 -0.354779
C 3.390016 -0.024991 -0.662033
C 3.941747 -0.165074 1.687045
C -2.764419 1.707692 -0.080988
C -3.785432 -0.498468 0.027659
C 3.811229 1.336136 -0.709195
C -3.877532 0.892305 0.156580
C 4.381265 1.150854 1.627201
C 4.317213 1.913354 0.451668
C 3.665030 2.102134 -1.976625
H 0.946720 -0.716854 0.956109
H -0.161907 -2.107595 0.911421
H 0.614984 -0.221192 -1.441596
H -0.246193 -1.711695 -1.727553
H 3.735732 -2.867867 0.155765
H 2.844337 -2.526319 1.660740
H 0.371360 -3.917529 -0.861816
H 1.147610 -4.311954 0.697206
H 2.085023 -4.379566 -0.820403
H 3.996831 -0.721582 2.622307
H -2.844776 2.803828 0.043624
H -4.667317 -1.134143 0.233325
H 4.655551 2.950448 0.453003
H 4.254834 3.025342 -1.993173
H 3.959992 1.495317 -2.848240
H 2.605229 2.375193 -2.136353
H 2.584674 -1.458449 -1.772177


%chk=000259184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259184

0 1
Cl 4.877636 2.018567 3.353750
O 3.011890 -0.563710 -1.751064
O -0.311235 2.975959 -0.414352
O -3.355865 -3.132414 0.779086
O 0.066474 1.644141 -2.229259
O -2.184553 -3.253872 -1.171544
O -5.058041 2.918896 0.811255
O -6.040845 0.896031 1.219009
N 1.767633 -2.328678 -0.330566
N -0.542408 1.930372 -1.130848
N -2.726253 -2.590645 -0.206896
N -5.065862 1.631034 0.808593
C 0.532058 -1.611364 0.095725
C -0.259467 -1.103681 -1.153007
C 2.911382 -2.150879 0.639994
C -1.529670 -0.394575 -0.731381
C 3.390469 -0.707166 0.661501
C 1.520414 -3.757519 -0.659308
C -1.641271 1.026708 -0.662393
C -2.671497 -1.095461 -0.231768
C 3.445629 0.024841 -0.564428
C 3.819602 -0.092112 1.859522
C -2.766812 1.703769 -0.158725
C -3.821816 -0.464694 0.275296
C 3.924112 1.366178 -0.605046
C -3.854202 0.938204 0.291128
C 4.309614 1.224146 1.807353
C 4.365199 1.954152 0.602719
C 3.922450 2.118996 -1.916225
H 0.831914 -0.746110 0.713498
H -0.101735 -2.272223 0.726362
H 0.391644 -0.432629 -1.729873
H -0.517376 -1.960255 -1.794139
H 3.721226 -2.814028 0.275761
H 2.633679 -2.494372 1.659582
H 0.669878 -3.842971 -1.355596
H 1.285476 -4.356787 0.246916
H 2.412766 -4.184909 -1.147167
H 3.780613 -0.634487 2.809977
H -2.796587 2.795606 -0.112919
H -4.665805 -1.046904 0.654101
H 4.737376 2.983291 0.601144
H 4.319545 3.140547 -1.793927
H 4.524770 1.590401 -2.677206
H 2.895665 2.182788 -2.323422
H 2.466486 -1.418086 -1.455809


