%chk=000206437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206437

0 1
Cl 5.912694 -1.850315 -1.191893
O -3.449708 -1.331523 0.558365
O -3.875044 0.225735 -1.024740
O -3.942550 -4.180165 -0.412095
N 0.128034 0.545991 1.187074
N -0.953694 -0.257137 1.090837
C 0.025479 1.667604 0.332000
C -1.245201 1.541203 -0.316805
C 1.273472 0.171814 2.044741
C -1.813469 0.316070 0.201550
C 2.435751 -0.325857 1.219752
C 0.886009 2.754313 0.072790
C -1.665771 2.521092 -1.237730
C 0.444382 3.697442 -0.835444
C -0.818904 3.584077 -1.484059
C -3.124402 -0.216349 -0.181538
C 3.654456 0.367226 1.235052
C 2.296770 -1.492134 0.450602
C 4.738804 -0.103340 0.489267
C 3.371738 -1.969024 -0.301674
C 4.579240 -1.265626 -0.268806
C -4.726591 -1.973155 0.265828
C -4.540696 -2.966939 -0.879628
H 0.947794 -0.624077 2.765116
H 1.552884 1.058987 2.662169
H 1.851444 2.830017 0.562654
H -2.636713 2.413785 -1.727169
H 1.071775 4.557013 -1.074268
H -1.109142 4.361324 -2.190751
H 3.767473 1.273935 1.828585
H 1.342781 -2.025055 0.435637
H 5.690998 0.427475 0.497208
H 3.271506 -2.872591 -0.904371
H -4.944562 -2.474758 1.228584
H -5.488041 -1.204861 0.040527
H -3.923527 -2.541518 -1.693427
H -5.511337 -3.308480 -1.290014
H -3.072933 -3.984398 0.002976


%chk=000206437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206437

0 1
Cl 6.249093 -1.672427 -1.334369
O -3.362751 -1.478427 -0.117654
O -3.933823 0.491587 -1.232298
O -4.401660 -3.640317 1.382260
N 0.103082 0.456598 0.977175
N -0.992532 -0.365911 0.755828
C -0.009714 1.681007 0.311065
C -1.270684 1.647848 -0.371889
C 1.208984 -0.030470 1.812327
C -1.828044 0.350279 -0.060482
C 2.454025 -0.412020 1.014567
C 0.858840 2.795991 0.250160
C -1.689746 2.766910 -1.138164
C 0.423661 3.892913 -0.515177
C -0.832971 3.880281 -1.198530
C -3.123111 -0.166145 -0.529009
C 3.731752 0.042480 1.418154
C 2.349077 -1.257091 -0.118862
C 4.895550 -0.338109 0.710863
C 3.498705 -1.642093 -0.840742
C 4.757537 -1.176335 -0.410721
C -4.683209 -2.061004 -0.502546
C -4.604477 -3.520811 -0.062770
H 0.805599 -0.906931 2.348614
H 1.457915 0.741508 2.563471
H 1.827554 2.806806 0.758536
H -2.652088 2.745271 -1.656121
H 1.063612 4.778609 -0.594084
H -1.127141 4.759568 -1.781537
H 3.830719 0.696956 2.292888
H 1.364517 -1.614428 -0.441366
H 5.883114 0.012813 1.023409
H 3.419129 -2.292117 -1.716774
H -5.475292 -1.510692 0.035566
H -4.835004 -1.949290 -1.591560
H -3.796934 -4.035517 -0.624339
H -5.562497 -4.025837 -0.272852
H -3.599588 -3.103653 1.613866


