%chk=000213946.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213946

0 1
Cl -2.731981 -1.663900 4.101867
O 0.950422 2.751614 -0.705502
O -2.043329 2.019574 -3.019618
N -1.904681 1.611900 -0.785895
N -1.378282 -1.152914 -1.985160
C -2.095009 0.779006 0.364473
C -1.654952 -0.562778 0.409879
C -1.389154 2.995701 -0.566869
C -1.007578 -1.239752 -0.749439
C -2.119784 1.199705 -2.129090
C -2.479536 -0.262332 -2.366621
C -0.101823 3.021247 0.263639
C -2.736812 1.344567 1.492190
C -1.856518 -1.314020 1.580479
C 0.158777 -2.113741 -0.432432
C -2.936193 0.594291 2.644706
C -2.489265 -0.732892 2.675186
C 1.327385 -1.534643 0.082965
C 0.091708 -3.495200 -0.659943
C 2.097183 2.122074 -0.274145
C 2.426898 -2.344542 0.377690
C 1.194034 -4.298738 -0.354303
C 2.359698 -3.725642 0.164593
C 2.450232 1.907074 1.062801
C 2.924631 1.711389 -1.341106
C 3.664039 1.260758 1.331343
C 4.122305 1.073423 -1.041786
C 4.495415 0.842231 0.293031
H -2.173597 3.619900 -0.086700
H -1.180464 3.452513 -1.576104
H -3.446933 -0.520454 -1.878924
H -2.633720 -0.406087 -3.470094
H -0.091029 2.274608 1.076284
H 0.099700 4.028585 0.671569
H -3.094809 2.374058 1.453338
H -1.510564 -2.351825 1.628188
H -3.436862 1.028146 3.512313
H 1.384925 -0.456327 0.240933
H -0.809150 -3.934951 -1.086463
H 3.338814 -1.892698 0.767669
H 1.145904 -5.372486 -0.528616
H 3.217566 -4.354300 0.397281
H 1.818634 2.236059 1.879709
H 2.608443 1.895976 -2.366105
H 3.956710 1.088138 2.367099
H 4.776596 0.745426 -1.850270
H 5.435706 0.343260 0.511159


%chk=000213946-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213946

0 1
Cl -2.398025 -1.499812 4.409853
O 0.888316 2.079522 -0.684037
O -2.405979 1.801545 -3.115774
N -1.941128 1.521605 -0.839940
N -1.743397 -1.303040 -1.930188
C -2.063040 0.761558 0.367279
C -1.657459 -0.609934 0.451232
C -1.378772 2.896100 -0.790451
C -1.174469 -1.377631 -0.742001
C -2.410501 1.065968 -2.092215
C -2.895077 -0.390008 -2.106063
C -0.055323 2.987144 -0.027909
C -2.545713 1.416225 1.533713
C -1.766855 -1.281589 1.700771
C -0.021582 -2.319178 -0.591851
C -2.649175 0.744585 2.764915
C -2.258065 -0.608426 2.827384
C 1.001910 -2.096916 0.368672
C 0.082230 -3.438273 -1.462264
C 2.181717 1.973555 -0.137121
C 2.099495 -2.980466 0.461606
C 1.174181 -4.322843 -1.362826
C 2.186994 -4.098911 -0.398162
C 2.657257 2.751721 0.947528
C 3.019393 1.012733 -0.755436
C 3.982590 2.559059 1.405122
C 4.335936 0.835070 -0.287964
C 4.827175 1.606796 0.794944
H -2.098869 3.610118 -0.342648
H -1.236384 3.193404 -1.843089
H -3.667413 -0.525339 -1.316815
H -3.344868 -0.574009 -3.092124
H -0.167631 2.706348 1.039156
H 0.308319 4.034559 -0.081027
H -2.867440 2.460464 1.470405
H -1.464505 -2.329836 1.772750
H -3.035402 1.256295 3.650867
H 0.958605 -1.219943 1.023149
H -0.701614 -3.586339 -2.211348
H 2.888053 -2.788511 1.197458
H 1.238600 -5.186804 -2.033568
H 3.035948 -4.787550 -0.321063
H 2.023404 3.499576 1.433587
H 2.619530 0.423110 -1.586157
H 4.351241 3.162147 2.242677
H 4.979560 0.090990 -0.770029
H 5.851931 1.466161 1.154199


