%chk=000269593.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269593

0 1
Cl 6.155629 -3.296155 0.642096
O -3.679698 -3.066996 0.078487
O -4.069463 -1.099794 1.192670
N 2.131788 0.956851 -0.270353
N -2.120992 0.726224 -0.070828
N -1.980142 -1.631817 0.185513
N 0.568157 3.280908 -0.459884
N -2.274567 3.085811 -0.318054
C 0.752393 0.839021 -0.199123
C -0.046982 2.053331 -0.296910
C 0.081525 -0.374307 -0.065399
C -1.479856 1.933410 -0.221667
C -1.341996 -0.378726 0.016922
C 3.070253 -0.103709 -0.042754
C 4.178221 -0.199754 -0.908794
C 2.927437 -0.987540 1.042430
C 5.136416 -1.189424 -0.692686
C 3.884859 -1.980688 1.251871
C -0.210053 4.350796 -0.541941
C 4.974986 -2.069852 0.381869
C -1.653032 4.244794 -0.469191
C -3.346303 -1.802364 0.543501
C -5.044481 -3.528128 0.352356
C -6.029081 -2.791813 -0.528302
H 0.626800 -1.313370 -0.028542
H 2.526884 1.880609 -0.490788
H 4.286622 0.487337 -1.748026
H 2.083017 -0.890579 1.727798
H -1.479202 -2.463167 -0.149952
H 5.998933 -1.278098 -1.355626
H 3.786625 -2.673881 2.089382
H 0.266119 5.328383 -0.669253
H -2.275247 5.148094 -0.541599
H -4.942684 -4.599976 0.099575
H -5.247331 -3.391660 1.429409
H -7.039023 -3.209076 -0.441637
H -6.090053 -1.725218 -0.254065
H -5.738080 -2.831479 -1.586106


%chk=000269593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269593

0 1
Cl 6.451242 -3.278481 0.344263
O -3.862887 -2.926909 0.552684
O -4.590972 -0.684112 0.441980
N 2.064161 0.858033 -0.246606
N -2.205629 1.013958 0.088072
N -2.290643 -1.349131 0.303868
N 0.776292 3.206237 -0.428839
N -2.079188 3.360607 -0.176544
C 0.688552 0.800029 -0.115417
C 0.008981 2.085166 -0.214726
C -0.121413 -0.332427 0.054151
C -1.429783 2.134246 -0.097762
C -1.549578 -0.162577 0.143750
C 3.046833 -0.147942 -0.096127
C 4.278632 0.017180 -0.789396
C 2.883646 -1.275857 0.754172
C 5.317425 -0.924348 -0.652811
C 3.917265 -2.227258 0.885936
C 0.120869 4.384305 -0.511260
C 5.119596 -2.045349 0.177463
C -1.302907 4.447595 -0.375852
C -3.677290 -1.526031 0.427361
C -5.281451 -3.373124 0.653912
C -5.912024 -3.518696 -0.733939
H 0.303206 -1.338387 0.079149
H 2.380210 1.812728 -0.479207
H 4.418741 0.882519 -1.447129
H 1.981217 -1.392332 1.359098
H -1.765973 -2.226108 0.332156
H 6.260103 -0.791831 -1.191115
H 3.790737 -3.088682 1.548053
H 0.716081 5.285723 -0.684740
H -1.819930 5.412055 -0.435333
H -5.212192 -4.337603 1.182282
H -5.835315 -2.642335 1.269513
H -6.935351 -3.927086 -0.637883
H -5.979414 -2.538885 -1.235640
H -5.323454 -4.206890 -1.365137


