%chk=000294512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294512

0 1
Cl 3.500252 -0.615556 1.368598
O -0.590573 2.567785 -1.356798
O 0.363977 2.829214 0.661929
O -4.010717 0.031459 -0.169464
O 0.484610 -1.953355 -0.520043
N 0.645436 -0.021560 0.677769
N -2.480396 -1.593616 -0.571696
C -0.488453 0.610325 -0.035100
C -1.813695 0.423844 0.716580
C -0.169603 2.107415 -0.143704
C -2.863835 -0.365371 -0.055155
C 1.075782 -1.296056 0.324495
C 2.273214 -1.851940 1.067806
H -0.557609 0.178326 -1.081092
H -2.273369 1.404592 0.984718
H -1.652146 -0.069914 1.700667
H 1.094443 0.532901 1.413231
H 1.961985 -2.300866 2.035730
H 2.731169 -2.670902 0.464120
H -3.141809 -2.129067 -1.115933
H -1.520836 -1.929489 -0.573921
H -0.435129 3.547730 -1.480536


%chk=000294512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294512

0 1
Cl 3.396443 -0.579791 1.916043
O -1.055332 2.701027 -1.094208
O 0.840446 2.696301 0.254423
O -4.044738 0.127853 -0.184680
O 0.201310 -2.184499 -0.018197
N 0.769282 0.007608 0.521850
N -2.490756 -1.530168 -0.712595
C -0.411106 0.600495 -0.128252
C -1.757695 0.383209 0.664209
C -0.114152 2.090859 -0.283771
C -2.870330 -0.344232 -0.122463
C 0.993894 -1.333356 0.513451
C 2.257043 -1.883436 1.170928
H -0.525165 0.164391 -1.139046
H -2.190647 1.346881 0.974151
H -1.525264 -0.191486 1.579338
H 1.453234 0.652622 0.942566
H 1.979875 -2.561456 1.991291
H 2.850812 -2.426367 0.421279
H -3.198930 -2.053014 -1.227687
H -1.547530 -1.925593 -0.563872
H -0.877998 3.678049 -1.162557


