%chk=000239330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239330

0 1
Cl -7.153120 -0.780297 1.564658
O 0.971056 1.866332 -0.445666
O 0.026671 -0.822602 0.279667
O -0.976057 0.191010 -1.516945
N 4.157791 0.027669 0.019402
N -2.202839 -0.625546 0.329050
C 4.657679 0.392833 1.387661
C 5.300663 -0.205927 -0.926286
C 5.528240 -0.745400 1.944696
C 6.181895 -1.352369 -0.402692
C 6.703142 -1.049906 1.007397
C 3.239910 1.084377 -0.509887
C 1.820675 0.834049 0.054676
C 1.333486 -0.571779 -0.321258
C -1.062308 -0.341500 -0.428744
C -3.539140 -0.301162 -0.058103
C -4.568635 -0.655647 0.839003
C -3.835674 0.338158 -1.275516
C -5.879273 -0.351965 0.477018
C -5.163559 0.622746 -1.594813
C -6.204062 0.281158 -0.723205
H 3.774740 0.542284 2.046003
H 5.230733 1.345179 1.393519
H 5.918496 0.704050 -1.084122
H 4.874544 -0.488258 -1.913315
H 5.895231 -0.473631 2.951064
H 4.908334 -1.655346 2.072410
H 5.593501 -2.291730 -0.388018
H 7.023109 -1.521211 -1.099190
H 7.402277 -0.192802 0.980581
H 7.284682 -1.908452 1.391201
H 3.204723 1.046912 -1.619327
H 3.544048 2.123563 -0.257759
H 1.775288 0.995508 1.157227
H 1.277054 -0.737396 -1.410428
H 1.952806 -1.361119 0.154958
H 0.575486 1.631397 -1.320557
H -2.065613 -1.078545 1.239620
H -4.357793 -1.149305 1.785316
H -3.032444 0.613632 -1.968185
H -5.393514 1.119882 -2.539155
H -7.239130 0.504259 -0.974554


%chk=000239330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239330

0 1
Cl -6.806502 -1.795976 1.764621
O 1.456156 1.995024 -1.634292
O 0.157387 -0.850710 -0.438734
O -1.061619 0.884954 -1.468794
N 4.219406 -0.016527 -0.125282
N -2.065053 -0.752968 -0.088706
C 4.365073 0.475074 1.271237
C 5.535778 -0.416545 -0.692167
C 4.983014 -0.606116 2.181015
C 6.191457 -1.526452 0.154059
C 6.346245 -1.075376 1.624292
C 3.499423 0.941049 -0.996615
C 1.966475 0.915975 -0.792281
C 1.409820 -0.468344 -1.170737
C -1.006134 -0.142887 -0.734792
C -3.427510 -0.346680 -0.066220
C -4.318687 -1.134709 0.711523
C -3.911799 0.783646 -0.776254
C -5.674385 -0.773622 0.762405
C -5.281668 1.110382 -0.694725
C -6.186594 0.341353 0.072729
H 3.369885 0.765192 1.654119
H 5.009674 1.393491 1.300899
H 6.233945 0.460261 -0.747763
H 5.373873 -0.772834 -1.726849
H 5.097164 -0.201543 3.205151
H 4.288563 -1.467023 2.236049
H 5.555037 -2.431772 0.109598
H 7.175609 -1.786268 -0.281310
H 7.072582 -0.237735 1.677026
H 6.756157 -1.896990 2.241552
H 3.702037 0.683639 -2.053855
H 3.830673 1.996235 -0.853821
H 1.722645 1.099485 0.278049
H 1.215470 -0.523635 -2.258519
H 2.121393 -1.244714 -0.847496
H 0.467531 1.862454 -1.720693
H -1.812827 -1.589452 0.442932
H -3.960931 -2.009513 1.265135
H -3.223449 1.382349 -1.374579
H -5.654996 1.982458 -1.241798
H -7.247221 0.598474 0.131294


