%chk=000210715.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210715

0 1
Cl 5.861612 -2.441274 0.323129
O -2.992012 -0.344166 2.476437
O -2.399250 -0.118986 -2.243171
N 1.261973 0.053712 0.523270
N 4.091438 -0.081903 -0.032085
C -2.559204 0.390440 0.162712
C -1.078675 0.768689 0.352466
C -0.149239 -0.450886 0.484885
C 1.796764 0.264473 -0.862960
C 2.153493 -0.895243 1.269421
C -3.026583 -0.567598 1.295714
C -2.724342 -0.452581 -1.134437
C 3.210244 0.875553 -0.775533
C 3.569316 -0.291797 1.360159
C -3.392644 1.657536 0.126231
C -3.499788 -1.833589 0.652366
C -3.325734 -1.767036 -0.748819
C 5.497598 0.231243 -0.069875
C -3.659003 2.303272 -1.090835
C -3.860585 2.227928 1.320751
C -4.043828 -2.957589 1.251689
C -3.693448 -2.823913 -1.565233
C -4.419635 -4.034288 0.423941
C -4.247589 -3.968723 -0.958661
C -4.411185 3.480691 -1.113833
C -4.611897 3.405132 1.292813
C 6.418487 -0.831586 0.059848
C 6.009395 1.521718 -0.307065
C -4.894594 4.032707 0.075841
C 7.794857 -0.623168 -0.036305
C 7.385820 1.730974 -0.413628
C 8.280363 0.665479 -0.275922
H -0.972312 1.409949 1.254516
H -0.760210 1.406891 -0.499385
H -0.328282 -1.178851 -0.335197
H -0.375012 -0.984165 1.435248
H 1.123816 0.970600 -1.396076
H 1.831690 -0.673655 -1.460237
H 2.207371 -1.901715 0.799007
H 1.747684 -1.023895 2.295932
H 3.618308 1.011372 -1.800262
H 3.154947 1.876378 -0.293256
H 3.539351 0.658428 1.938598
H 4.237000 -0.991176 1.906107
H -3.272844 1.899922 -2.030876
H -3.633895 1.760685 2.283712
H -4.178202 -3.006031 2.333219
H -3.558414 -2.769842 -2.646414
H -4.851200 -4.928572 0.875897
H -4.544938 -4.811972 -1.583775
H -4.616915 3.969898 -2.064984
H -4.974713 3.835344 2.225412
H 5.332442 2.368817 -0.402156
H -5.482488 4.948041 0.055634
H 8.483789 -1.462283 0.067164
H 7.764071 2.735774 -0.600663
H 9.352132 0.835136 -0.356578


%chk=000210715-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210715

0 1
Cl 5.987442 -2.396023 0.747534
O -2.898651 -0.557909 2.528538
O -2.170002 -0.251619 -2.233151
N 1.356525 0.052145 0.622120
N 4.202704 0.130724 0.117712
C -2.509825 0.281681 0.194610
C -1.038356 0.738249 0.433951
C -0.042458 -0.430329 0.603420
C 1.892809 0.351238 -0.727734
C 2.284163 -0.850036 1.350280
C -3.021143 -0.704932 1.283812
C -2.651845 -0.554953 -1.109154
C 3.279853 1.011811 -0.630024
C 3.670471 -0.198602 1.467196
C -3.419828 1.542811 0.138391
C -3.652989 -1.871922 0.601697
C -3.435336 -1.785829 -0.796739
C 5.596842 0.303912 -0.057564
C -3.663651 2.208891 -1.090662
C -3.941810 2.099611 1.335350
C -4.353206 -2.957458 1.166296
C -3.911841 -2.783423 -1.671803
C -4.840013 -3.956551 0.292422
C -4.621521 -3.870320 -1.111584
C -4.426418 3.397893 -1.121163
C -4.704116 3.288093 1.299654
C 6.545847 -0.727397 0.220427
C 6.138591 1.520063 -0.579891
C -4.953007 3.942133 0.071725
C 7.929059 -0.559166 0.038564
C 7.521040 1.693715 -0.791878
C 8.429724 0.661157 -0.471052
H -1.006814 1.375249 1.335055
H -0.755052 1.367562 -0.429460
H -0.202321 -1.192438 -0.202574
H -0.241926 -0.932220 1.568335
H 1.206104 1.037772 -1.253760
H 1.981729 -0.580082 -1.342021
H 2.394874 -1.837005 0.836092
H 1.881073 -1.028411 2.364131
H 3.675534 1.167065 -1.649112
H 3.167812 2.005735 -0.136158
H 3.578760 0.734392 2.069295
H 4.360092 -0.881759 1.984444
H -3.252150 1.807058 -2.021754
H -3.746406 1.609426 2.294469
H -4.508502 -3.014229 2.248231
H -3.731451 -2.708547 -2.748702
H -5.391347 -4.812618 0.696357
H -5.008733 -4.661720 -1.762569
H -4.605403 3.898938 -2.079287
H -5.099747 3.703341 2.233491
H 5.456276 2.346955 -0.798948
H -5.545048 4.863804 0.045444
H 8.604393 -1.389384 0.266566
H 7.888450 2.645134 -1.192174
H 9.506050 0.788622 -0.622789


