%chk=000228960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228960

0 1
Cl 2.396431 2.795467 -0.208970
Cl 2.404335 -2.766127 -0.367293
Cl 3.784540 0.060171 -1.818241
Cl 4.139641 -0.019291 0.991461
Cl 0.023509 1.819607 -2.130174
Cl 0.028324 -1.689293 -2.229907
O -0.670288 2.267941 1.545429
O -0.663433 -2.348179 1.414343
N -0.979745 -0.041325 1.506156
C 1.251756 0.753527 1.250874
C 1.254070 -0.813789 1.206307
C 1.862534 1.154220 -0.125691
C 1.865782 -1.133800 -0.190806
C 2.953902 0.015505 -0.290001
C 0.889340 0.716784 -1.227162
C 0.891222 -0.637175 -1.265659
C -0.213972 1.163070 1.434066
C -0.210408 -1.237417 1.365966
C -2.466936 -0.045038 1.558991
C -3.060045 -0.005886 0.143223
C -4.592222 -0.011118 0.199212
C -5.200599 0.028622 -1.210013
C -6.726545 0.023252 -1.163709
H 1.858735 1.165973 2.089486
H 1.862409 -1.271426 2.020125
H -2.793676 -0.962656 2.100893
H -2.796358 0.839544 2.151812
H -2.702270 0.895472 -0.394221
H -2.698123 -0.873294 -0.444920
H -4.950855 -0.912158 0.734382
H -4.955030 0.855428 0.786031
H -4.846233 0.929755 -1.748415
H -4.841595 -0.837539 -1.800251
H -7.152752 0.052462 -2.173108
H -7.113809 -0.876309 -0.671575
H -7.118434 0.889620 -0.618540


%chk=000228960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228960

0 1
Cl 2.569767 2.873097 -0.154153
Cl 2.583210 -2.838548 -0.333503
Cl 4.048975 0.068121 -1.749162
Cl 4.211362 -0.025309 1.237240
Cl 0.076516 1.847633 -2.232048
Cl 0.088403 -1.696336 -2.346312
O -0.686968 2.304104 1.487702
O -0.679224 -2.386223 1.341079
N -0.980134 -0.041440 1.409949
C 1.263130 0.750054 1.264172
C 1.265881 -0.814468 1.214763
C 1.950402 1.154890 -0.097435
C 1.956278 -1.130043 -0.169501
C 3.037810 0.017264 -0.207143
C 1.026986 0.726354 -1.247539
C 1.031235 -0.634433 -1.291286
C -0.214745 1.149751 1.390905
C -0.210924 -1.226534 1.315442
C -2.454738 -0.045429 1.490398
C -3.112392 -0.013950 0.092142
C -4.653706 -0.006080 0.191615
C -5.340790 0.015487 -1.192833
C -6.881262 0.028541 -1.093440
H 1.846524 1.163607 2.101433
H 1.850279 -1.277786 2.024832
H -2.751534 -0.960081 2.034205
H -2.752973 0.842619 2.075940
H -2.767899 0.886703 -0.452098
H -2.778960 -0.897070 -0.486571
H -4.994992 -0.900615 0.753198
H -4.984032 0.878027 0.775773
H -4.996799 0.906055 -1.756667
H -5.013156 -0.868899 -1.775862
H -7.350220 0.040590 -2.094094
H -7.251931 -0.865532 -0.557525
H -7.236176 0.920480 -0.543513


