%chk=000245290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245290

0 1
Cl 3.248358 0.038771 2.915628
O -2.449670 -1.782116 0.129344
O -2.565725 1.678764 0.970740
O -1.286256 -1.657202 -1.820069
O -2.998744 1.505594 -1.254584
N -0.081278 0.777091 -0.952095
C -1.196764 0.185049 -0.194866
C 1.251782 0.524429 -0.504750
C 1.553045 0.363142 0.860347
C 2.295871 0.551623 -1.455967
C -1.623383 -1.174517 -0.769213
C -2.357968 1.188964 -0.286375
C 3.945553 0.269539 0.316258
C 2.887988 0.239253 1.236968
C 3.619809 0.431888 -1.041104
C 5.356555 0.133081 0.773781
C -2.976482 -3.113510 -0.201446
C -3.592658 2.713492 1.148838
C -1.897658 -4.155263 -0.009037
C -3.077196 4.039533 0.636200
H -0.927267 0.048117 0.898869
H -0.215631 0.677133 -1.969708
H 0.763955 0.352943 1.612938
H 2.071700 0.670969 -2.514841
H 4.418067 0.459973 -1.784086
H 5.624087 0.933244 1.482074
H 6.078320 0.173754 -0.051330
H 5.514357 -0.821529 1.300038
H -3.799228 -3.188545 0.533803
H -3.368122 -3.083854 -1.233618
H -4.512637 2.381622 0.636461
H -3.716882 2.683736 2.247238
H -2.300313 -5.171423 -0.103766
H -1.098472 -4.048877 -0.759042
H -1.426240 -4.075524 0.979469
H -3.749088 4.863729 0.903694
H -2.083635 4.272046 1.043685
H -2.979952 4.035481 -0.460575


%chk=000245290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245290

0 1
Cl 2.596268 2.302204 2.664594
O -2.990277 -2.007045 -0.191086
O -1.901499 0.962803 1.156076
O -1.520463 -2.425134 -1.957246
O -2.118826 1.222896 -1.159350
N 0.295203 -0.671174 -0.973297
C -0.937196 -0.766646 -0.220884
C 1.430069 0.023596 -0.547610
C 1.461846 0.724465 0.691865
C 2.599630 0.036577 -1.361512
C -1.822804 -1.826978 -0.900620
C -1.724522 0.578369 -0.166623
C 3.816468 1.438071 0.287075
C 2.636616 1.400145 1.062277
C 3.750865 0.726556 -0.943015
C 5.066203 2.181190 0.711963
C -3.973201 -3.000671 -0.743696
C -2.592199 2.274347 1.395994
C -3.645029 -4.411264 -0.251776
C -1.582625 3.424372 1.361997
H -0.765805 -1.078757 0.828625
H 0.289380 -1.129570 -1.887628
H 0.590279 0.759594 1.349876
H 2.599318 -0.495734 -2.319846
H 4.638000 0.721263 -1.587321
H 4.870709 3.261604 0.844512
H 5.862153 2.066205 -0.043397
H 5.451543 1.808072 1.678909
H -4.939242 -2.637011 -0.360611
H -3.947591 -2.934837 -1.845195
H -3.376487 2.396996 0.628518
H -3.046171 2.143851 2.390869
H -4.426184 -5.112466 -0.599171
H -2.675607 -4.754061 -0.650312
H -3.614881 -4.448757 0.850547
H -2.092032 4.368596 1.629934
H -0.763074 3.258225 2.082402
H -1.150637 3.540707 0.354066


