%chk=000240638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240638

0 1
Cl 0.114812 -4.309953 0.000650
O -3.942350 -1.396008 0.000350
O 3.973687 -1.433139 -0.000150
O -8.272488 1.097473 0.000167
O 8.245426 1.161450 -0.000597
O -6.885229 2.861623 -0.000479
O 6.817347 2.891407 -0.000120
N -2.340792 0.265186 0.000037
N -0.008804 0.164755 -0.000071
N 2.336127 0.220439 -0.000109
N 1.236096 -1.941169 0.000230
C -1.183295 -0.551539 0.000119
C 1.166493 -0.566643 -0.000046
C -1.197850 -1.960238 0.000341
C 0.046831 -2.598964 0.000409
C -3.679111 -0.213625 0.000170
C 3.684119 -0.266209 -0.000144
C -4.696517 0.883408 0.000073
C 4.674995 0.861867 -0.000285
C -5.998148 0.585125 -0.000059
C 5.983103 0.594861 -0.000181
C -7.022318 1.661255 -0.000140
C 6.980927 1.693919 -0.000328
H -2.136931 -2.525322 0.000458
H -2.159952 1.280412 -0.000158
H 2.164608 1.237374 -0.000142
H -4.340783 1.920639 0.000126
H 4.295741 1.889827 -0.000475
H -6.383349 -0.446689 -0.000099
H 6.392562 -0.427476 0.000002
H -9.002222 1.779473 0.000108
H 8.957168 1.861379 -0.000655


%chk=000240638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240638

0 1
Cl 0.114513 -4.552030 0.000363
O -4.032348 -1.483741 0.000156
O 4.085866 -1.532538 -0.000024
O -8.220560 1.374235 -0.000365
O 8.187136 1.448094 -0.000783
O -6.589252 3.039222 -0.000198
O 6.508660 3.064003 -0.000543
N -2.311927 0.120696 0.000261
N 0.000640 0.001282 0.000313
N 2.314193 0.045837 0.000210
N 1.232330 -2.097080 0.000355
C -1.173146 -0.700662 0.000293
C 1.152943 -0.736959 0.000388
C -1.212926 -2.121686 0.000328
C 0.052778 -2.739826 0.000337
C -3.661463 -0.273562 0.000230
C 3.676450 -0.344724 0.000032
C -4.611279 0.877733 0.000101
C 4.593225 0.842348 -0.000155
C -5.956407 0.673603 -0.000046
C 5.943800 0.679994 -0.000379
C -6.895808 1.822458 -0.000167
C 6.848083 1.855421 -0.000571
H -2.153800 -2.668234 0.000329
H -2.088965 1.121421 0.000247
H 2.107080 1.048923 0.000179
H -4.226302 1.906738 0.000123
H 4.179885 1.860805 -0.000120
H -6.371108 -0.339643 -0.000076
H 6.387735 -0.320844 -0.000423
H -8.838849 2.154678 -0.000487
H 8.778729 2.248937 -0.000905


