%chk=000215387.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215387

0 1
Cl -3.066038 -1.225796 -1.876528
O 1.401243 2.115892 -0.112308
O -1.489467 -1.399518 0.567071
O -3.207866 2.911352 0.143119
N -0.050421 0.386333 0.183588
N -2.404232 0.741873 0.286779
N -0.905203 2.674720 0.013572
C 1.269868 -0.185949 0.106885
C 2.130200 0.866704 -0.056547
C 0.075303 1.800002 0.024522
C 1.555041 -1.618669 0.156257
C -1.357943 -0.224082 0.353018
C 3.564958 1.045719 -0.177596
C -3.760575 0.217578 0.304003
C -2.233637 2.212964 0.136951
C 1.060080 -2.421845 1.195313
C 2.355477 -2.185621 -0.852474
C 4.076989 2.175247 -0.841947
C 4.442317 0.096321 0.375961
C -4.177472 -0.702709 -0.676131
C -4.666271 0.646729 1.285477
C 1.375141 -3.783182 1.229164
C 2.662344 -3.546333 -0.810718
C 5.457707 2.344983 -0.956704
C 5.821491 0.275413 0.252001
C 2.175094 -4.345513 0.230138
C 6.330475 1.396142 -0.413030
C -5.479865 -1.203215 -0.677292
C -5.972669 0.150035 1.276421
C -6.377575 -0.770704 0.304136
H 0.412649 -1.991304 1.961321
H 2.730493 -1.564690 -1.666476
H 3.391927 2.915965 -1.260056
H 4.048969 -0.774986 0.901698
H -4.356062 1.377500 2.034525
H 0.985685 -4.407279 2.033288
H 3.278148 -3.987656 -1.593565
H 5.854993 3.220154 -1.470837
H 6.502792 -0.460401 0.678724
H 2.414527 -5.408163 0.257686
H 7.407728 1.531578 -0.505635
H -5.789952 -1.920718 -1.438049
H -6.680053 0.487112 2.034784
H -7.398236 -1.153381 0.307785


%chk=000215387-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215387

0 1
Cl -3.514902 -0.448982 -2.510823
O 1.355299 2.094269 -0.324467
O -1.517207 -1.435635 0.429008
O -3.288717 2.890383 -0.200820
N -0.072120 0.401844 0.072522
N -2.403900 0.729388 0.104955
N -0.951360 2.651037 -0.284614
C 1.245070 -0.175925 0.071187
C 2.115141 0.876870 -0.156268
C 0.012583 1.777271 -0.182233
C 1.541482 -1.619393 0.214851
C -1.357901 -0.214888 0.216593
C 3.567584 1.041600 -0.215887
C -3.753370 0.207927 0.200722
C -2.265129 2.178923 -0.139754
C 1.182086 -2.343210 1.381339
C 2.228756 -2.287632 -0.833258
C 4.109291 2.238096 -0.767037
C 4.454266 0.049344 0.291679
C -4.392593 -0.361760 -0.922200
C -4.450049 0.282354 1.425113
C 1.512715 -3.708829 1.498928
C 2.556965 -3.654825 -0.713353
C 5.504660 2.428107 -0.821464
C 5.847513 0.248462 0.231695
C 2.201414 -4.368911 0.454115
C 6.380971 1.434524 -0.326560
C -5.705209 -0.861494 -0.838853
C -5.767573 -0.210919 1.524714
C -6.392455 -0.783829 0.393406
H 0.637090 -1.842508 2.187283
H 2.497952 -1.734841 -1.739909
H 3.431997 3.010497 -1.142843
H 4.057599 -0.866477 0.738156
H -3.952456 0.736863 2.287637
H 1.226573 -4.258993 2.401441
H 3.080718 -4.161204 -1.531149
H 5.907587 3.352464 -1.248803
H 6.518666 -0.520769 0.628584
H 2.451827 -5.431399 0.546589
H 7.465186 1.584189 -0.369283
H -6.179454 -1.298648 -1.721968
H -6.303247 -0.146106 2.476875
H -7.415245 -1.168632 0.462448


