%chk=000213377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213377

0 1
Cl 2.538525 -2.912082 -1.354989
O 0.979401 -0.763581 -0.432032
O -2.176155 -0.560445 0.310877
O -1.621370 2.157462 -1.317330
O -3.543211 -1.712852 -1.128591
N -4.046033 -1.509146 1.138823
C -1.259215 -0.240865 -0.794106
C -0.009863 0.246654 -0.061407
C -1.886969 0.805791 -1.723220
C 2.249249 -0.631034 0.069024
C 3.124668 -1.665734 -0.335668
C 2.705179 0.398056 0.901158
C -2.529209 2.726722 -0.347498
C -3.283328 -1.330075 -0.006984
C 4.448787 -1.668183 0.091263
C 4.040291 0.381636 1.322226
C 4.907084 -0.638509 0.924918
C -2.100478 2.466162 1.008950
C -1.743860 2.266880 2.142375
H -1.057633 -1.193811 -1.350303
H 0.327674 1.240344 -0.414281
H -0.148208 0.243025 1.036387
H -2.971440 0.630123 -1.849653
H -1.393682 0.780465 -2.719370
H 2.047942 1.201684 1.218147
H -2.456624 3.812083 -0.594313
H -3.565029 2.372138 -0.527542
H 5.122062 -2.467126 -0.222785
H 4.403686 1.180512 1.969553
H 5.942092 -0.638389 1.259624
H -4.769594 -2.214763 1.129336
H -3.670980 -1.256537 2.041293
H -1.444261 2.097393 3.116318


%chk=000213377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213377

0 1
Cl 2.047433 -3.503531 -0.197412
O 0.861769 -0.804611 -0.488780
O -2.017476 -0.484774 0.024422
O -1.958288 2.491314 -1.044504
O -3.301746 -1.844682 -1.419007
N -3.492352 -1.958011 0.922265
C -1.281243 0.049275 -1.153252
C 0.102023 0.445952 -0.652302
C -2.050126 1.223751 -1.782543
C 2.138209 -0.716047 0.064986
C 2.840271 -1.934904 0.265113
C 2.775982 0.497666 0.431987
C -2.815742 2.599811 0.158239
C -2.976227 -1.482278 -0.260714
C 4.133284 -1.954760 0.812969
C 4.076431 0.480935 0.983955
C 4.759675 -0.738627 1.177273
C -2.063677 2.464810 1.419415
C -1.445706 2.397958 2.484554
H -1.203451 -0.759448 -1.904962
H 0.600051 1.100181 -1.395558
H 0.020722 0.983958 0.309272
H -3.106342 0.923025 -1.934211
H -1.606614 1.457836 -2.766819
H 2.264028 1.453212 0.287449
H -3.264119 3.609634 0.109352
H -3.629095 1.848126 0.122177
H 4.642713 -2.913003 0.952266
H 4.552469 1.427777 1.260343
H 5.767432 -0.753434 1.603641
H -4.194114 -2.691851 0.888156
H -3.111428 -1.641456 1.811037
H -0.905246 2.330194 3.411394


