%chk=000276677.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276677

0 1
Cl 8.331552 0.101482 -0.549076
O -2.190018 1.579708 0.211941
O 4.085001 -1.228671 0.050647
O 4.826584 3.156807 0.671038
N -2.549111 -0.684189 -0.104801
N 2.237711 0.173920 0.245459
N 4.515401 0.998295 0.459162
N 4.050144 2.270593 0.508644
C -1.200744 -1.159399 -0.134214
C -0.968765 -2.546688 -0.362926
C 1.191503 -0.788876 0.032396
C -0.124099 -0.287274 0.060953
C 0.350356 -3.005774 -0.383370
C 1.436810 -2.147910 -0.188595
C -2.089845 -3.511394 -0.580117
C -2.964262 0.655417 0.075009
C -4.457191 0.803138 0.063913
C 3.599476 -0.129453 0.229241
C 5.966243 0.642395 0.595714
C -5.054696 1.555016 -0.955503
C -5.234746 0.236640 1.082022
C 6.579735 0.378181 -0.777703
C -6.442109 1.726665 -0.962105
C -6.620536 0.416602 1.071354
C -7.223634 1.157817 0.048936
H -0.310547 0.780048 0.233142
H 0.547661 -4.065898 -0.556424
H 2.455858 -2.545231 -0.210863
H -3.276599 -1.391181 -0.246405
H -1.724936 -4.534767 -0.752939
H -2.689322 -3.247397 -1.462949
H -2.755097 -3.566655 0.292929
H 1.930074 1.144544 0.399788
H 6.062495 -0.261007 1.244491
H 6.492255 1.479035 1.115613
H -4.438853 2.010356 -1.732794
H -4.762519 -0.329110 1.885193
H 6.146944 -0.529438 -1.249268
H 6.456386 1.231854 -1.469941
H -6.912711 2.309974 -1.753064
H -7.230794 -0.016935 1.862836
H -8.304854 1.296258 0.043336


%chk=000276677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276677

0 1
Cl 8.470186 0.503769 -0.717776
O -2.142752 1.593007 -0.014298
O 4.232930 -1.412129 0.248394
O 4.594824 3.176394 0.374260
N -2.505809 -0.727581 -0.086571
N 2.323310 -0.007332 0.214190
N 4.496467 0.916529 0.354088
N 3.834641 2.154238 0.328696
C -1.178130 -1.235690 -0.040990
C -1.012337 -2.657757 -0.102044
C 1.249337 -0.938967 0.111305
C -0.052942 -0.384738 0.062475
C 0.302327 -3.167929 -0.050938
C 1.440268 -2.341229 0.055912
C -2.205488 -3.591543 -0.213994
C -2.936822 0.601013 -0.041326
C -4.433021 0.790667 -0.049029
C 3.667415 -0.284977 0.268549
C 5.967185 0.788523 0.459865
C -4.921953 2.053237 -0.473163
C -5.357025 -0.202743 0.373434
C 6.602292 0.619744 -0.930485
C -6.307491 2.310325 -0.502491
C -6.744635 0.057256 0.347680
C -7.224013 1.311145 -0.096936
H -0.215596 0.695910 0.097572
H 0.444286 -4.253943 -0.094990
H 2.445094 -2.763496 0.095389
H -3.236216 -1.430961 -0.205002
H -1.871506 -4.640949 -0.256730
H -2.801085 -3.407835 -1.131432
H -2.888145 -3.507142 0.656294
H 2.083156 0.992423 0.242174
H 6.188973 -0.091256 1.083031
H 6.340941 1.706829 0.943254
H -4.193823 2.816048 -0.767147
H -5.011636 -1.166475 0.769326
H 6.291665 -0.319050 -1.409331
H 6.424940 1.487249 -1.582032
H -6.673694 3.286557 -0.837858
H -7.448970 -0.710609 0.685540
H -8.300947 1.510966 -0.116165


