%chk=000217314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217314

0 1
Cl -7.061528 1.149512 -3.062249
O 0.827514 -0.210975 -1.009520
O -3.153804 1.560464 0.345767
O -2.703363 -0.473102 1.247369
N 1.284551 2.674270 -0.867057
N 5.705742 -1.258363 0.219183
N -6.098627 -1.992737 -0.830981
C 1.303667 0.367646 0.227295
C 2.151254 1.619766 -0.234849
C 0.115652 0.800872 1.099143
C -0.720766 1.815115 0.308957
C 3.255897 1.182265 -1.242614
C 2.223050 -0.626698 0.932853
C 0.132973 3.063244 0.015942
C 3.540596 -0.649783 0.439839
C 4.122099 0.169567 -0.589476
C -2.017022 2.173308 1.040011
C 4.535689 -1.540858 0.938168
C 2.079338 3.903156 -1.179714
C 1.913054 -1.514291 1.946048
C 5.443098 -0.221554 -0.717755
C 4.202711 -2.444323 1.973377
C 2.903847 -2.406744 2.451552
C 0.127535 -1.465092 -0.894923
C 6.979989 -1.969319 0.346457
C -3.379273 0.218677 0.518569
C -4.546461 -0.209181 -0.289479
C -5.168291 0.646923 -1.208526
C -5.038446 -1.523726 -0.128225
C -6.259629 0.153229 -1.927130
C -6.704646 -1.166654 -1.721349
H 2.652731 2.010311 0.691630
H 0.470998 1.219404 2.056580
H -0.511229 -0.079051 1.365205
H -0.986701 1.345088 -0.682891
H 3.831853 2.053192 -1.604255
H 2.757016 0.736708 -2.136531
H -0.471694 3.808339 -0.547386
H 0.451965 3.547338 0.963045
H -2.294467 3.240363 0.963677
H -2.035756 1.847923 2.093845
H 1.430025 4.622948 -1.703169
H 2.890062 3.641188 -1.881534
H 2.526811 4.401675 -0.307757
H 0.914217 -1.554645 2.373100
H 6.206622 0.140753 -1.378187
H 4.937111 -3.135152 2.369746
H 2.609725 -3.088060 3.250143
H 0.810205 -2.250744 -0.555926
H -0.191111 -1.645630 -1.927870
H -0.735570 -1.375013 -0.226452
H 7.215364 -2.159146 1.409401
H 6.945336 -2.942707 -0.177799
H 7.807170 -1.378126 -0.082143
H -4.803111 1.670108 -1.353400
H -4.567610 -2.219449 0.584533
H -7.560060 -1.578030 -2.275089


%chk=000217314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217314

0 1
Cl -6.886110 4.055977 -2.054302
O 1.226803 -1.178527 -0.737150
O -3.325170 1.054354 0.579376
O -3.836349 -1.201989 0.234034
N 0.706839 1.681106 -1.020965
N 6.248060 -0.417992 0.310873
N -7.173667 -0.018709 -2.145940
C 1.530552 -0.249894 0.396398
C 1.892180 1.112505 -0.322741
C 0.285036 -0.076125 1.295245
C -0.889303 0.508452 0.486347
C 3.095431 0.942444 -1.305349
C 2.748268 -0.758954 1.176695
C -0.455019 1.853414 -0.123794
C 3.999861 -0.465924 0.596431
C 4.257975 0.320425 -0.574284
C -2.124433 0.653311 1.381389
C 5.237528 -0.918324 1.143792
C 0.987136 2.923465 -1.769291
C 2.761979 -1.532963 2.355327
C 5.643017 0.335820 -0.727940
C 5.251087 -1.705586 2.319268
C 3.998316 -1.994221 2.908753
C 0.983937 -2.577122 -0.378942
C 7.681309 -0.660092 0.474773
C -4.081782 0.013408 0.042006
C -5.222039 0.530345 -0.774698
C -5.445020 1.916751 -0.970675
C -6.109915 -0.396158 -1.381057
C -6.543222 2.294118 -1.761032
C -7.387427 1.316756 -2.333831
H 2.223518 1.804242 0.502451
H 0.546702 0.600806 2.134221
H -0.000591 -1.047781 1.741379
H -1.114630 -0.187625 -0.343138
H 3.382770 1.921430 -1.726548
H 2.748663 0.299278 -2.136211
H -1.286515 2.282877 -0.712218
H -0.233194 2.572672 0.715504
H -2.016480 1.472257 2.113594
H -2.354318 -0.297128 1.895823
H 0.037786 3.312304 -2.178128
H 1.655929 2.729634 -2.623349
H 1.445604 3.729412 -1.139704
H 1.830244 -1.797456 2.867540
H 6.264973 0.818886 -1.480533
H 6.177769 -2.080768 2.766918
H 3.971934 -2.598726 3.822711
H 1.849738 -3.027218 0.144714
H 0.823406 -3.092994 -1.339255
H 0.076268 -2.700698 0.247924
H 8.008433 -0.396713 1.497520
H 7.937448 -1.720025 0.285715
H 8.243293 -0.034741 -0.237358
H -4.778398 2.652234 -0.515212
H -5.954140 -1.470709 -1.244585
H -8.245768 1.600679 -2.951291


