%chk=000215388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215388

0 1
Cl -6.027032 -2.428993 -1.299614
O 1.585001 2.073040 -0.523781
O -1.497765 -1.185823 0.486798
O -2.984558 3.088080 -0.640068
N 0.036706 0.471104 -0.052124
N -2.302190 0.938424 -0.094994
N -0.696280 2.736539 -0.613587
C 1.329859 -0.160816 0.033315
C 2.247818 0.817415 -0.239978
C 0.240611 1.837862 -0.412934
C 1.539683 -1.579110 0.317006
C -1.303941 -0.048923 0.144015
C 3.693749 0.915767 -0.308254
C -3.691025 0.506083 0.042221
C -2.049010 2.356721 -0.478240
C 0.962018 -2.186598 1.442667
C 2.350817 -2.331768 -0.551927
C 4.292290 1.909017 -1.104871
C 4.495329 0.025104 0.427857
C -4.128206 -0.645275 -0.632076
C -4.567472 1.260707 0.838470
C 1.204543 -3.538567 1.701351
C 2.584953 -3.681536 -0.285770
C 5.683645 2.001230 -1.168092
C 5.886022 0.125304 0.354050
C 2.014546 -4.285467 0.840903
C 6.481175 1.109954 -0.442002
C -5.464656 -1.016653 -0.483598
C -5.900908 0.858518 0.955511
C -6.362856 -0.285839 0.298052
H 0.308098 -1.612847 2.101514
H 2.791204 -1.863150 -1.432389
H 3.665861 2.605999 -1.665741
H 4.034630 -0.739213 1.055501
H -3.446278 -1.242413 -1.239448
H -4.220873 2.165502 1.340523
H 0.751050 -4.011227 2.572577
H 3.209119 -4.267025 -0.960077
H 6.148117 2.770933 -1.784595
H 6.508893 -0.565264 0.922387
H 2.197320 -5.340502 1.043675
H 7.567141 1.184489 -0.494732
H -6.588139 1.445713 1.566774
H -7.401810 -0.600901 0.391024


%chk=000215388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215388

0 1
Cl -6.147101 -2.298652 -1.670794
O 1.549624 2.050400 -0.635737
O -1.512878 -1.207151 0.470015
O -3.036480 3.108441 -0.737603
N 0.022565 0.500884 -0.067297
N -2.297759 0.941447 -0.146283
N -0.723760 2.723989 -0.730929
C 1.306265 -0.141879 0.041333
C 2.237738 0.826357 -0.294200
C 0.189932 1.824156 -0.490288
C 1.518832 -1.568685 0.374446
C -1.297567 -0.028063 0.114061
C 3.697783 0.905854 -0.339599
C -3.682196 0.511676 0.004464
C -2.063813 2.346530 -0.560083
C 1.101070 -2.115948 1.615448
C 2.184092 -2.402039 -0.563884
C 4.312642 1.996330 -1.019290
C 4.520917 -0.062987 0.302320
C -4.167797 -0.542999 -0.799831
C -4.518875 1.161558 0.937085
C 1.351513 -3.471164 1.913257
C 2.431815 -3.758526 -0.263534
C 5.716900 2.104522 -1.066499
C 5.923736 0.054003 0.248775
C 2.017344 -4.296545 0.976645
C 6.529855 1.133654 -0.436880
C -5.508417 -0.934526 -0.642515
C -5.861983 0.748379 1.064398
C -6.372161 -0.308261 0.275925
H 0.573558 -1.487169 2.339080
H 2.500232 -1.985595 -1.526652
H 3.684933 2.752122 -1.500252
H 4.068334 -0.896626 0.846019
H -3.516503 -1.048765 -1.516554
H -4.131371 1.989614 1.535920
H 1.020965 -3.884416 2.871875
H 2.939461 -4.393241 -0.997626
H 6.176148 2.947618 -1.593416
H 6.545631 -0.695637 0.749686
H 2.204996 -5.350508 1.209111
H 7.621153 1.219447 -0.474278
H -6.520381 1.251444 1.779505
H -7.411795 -0.633447 0.371958


