%chk=000227104.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227104

0 1
 Cl   2.863600       3.660800       1.575900    
 O   -4.668900      -1.002200      0.4953000    
 O    3.714800      -1.889700      0.2159000    
 O   -5.315100      0.8462000     -0.7148000    
 O    3.968700      -1.030200      -1.918700    
 N   -1.085200       1.497400     -0.5617000    
 N    1.431900       1.771800      0.4887000    
 C  -0.7952000      0.1726000     -0.5064000    
 C   -1.941600     -0.5432000     -0.3772000    
 C   -3.002100      0.3960000     -0.3515000    
 C   -2.443900       1.649800     -0.4678000    
 C   0.5879000     -0.1917000     -0.5903000    
 C    1.598200      0.5532000     -0.1293000    
 C   -2.071300      -2.012700     -0.2815000    
 C    3.012600      0.2589000     -0.1747000    
 C   -3.060900       2.990500     -0.4993000    
 C    3.718600       1.244200      0.3897000    
 C   -4.409200      0.1372000     -0.2292000    
 C    2.638500       2.165400      0.7845000    
 C    3.617700     -0.9380000     -0.7494000    
 C    5.158200       1.481600      0.6224000    
 C   -6.039700      -1.368300      0.6863000    
 C    4.293900      -3.132000     -0.1965000    
 C   -6.100900      -2.641400       1.503300    
 C    4.329400      -4.076100      0.9863000    
 H  -0.4252000       2.257100     -0.6661000    
 H   0.8058000      -1.162400      -1.029400    
 H   -2.859800      -2.381900     -0.9456000    
 H   -1.147400      -2.525100     -0.5680000    
 H   -2.309100      -2.311900      0.7445000    
 H   -3.762600       3.113500      0.3321000    
 H   -2.311900       3.785300     -0.4195000    
 H   -3.607900       3.137600      -1.436100    
 H    5.768200      0.6564000      0.2419000    
 H    5.483600       2.397100      0.1187000    
 H    5.363300       1.582200       1.692700    
 H   -6.560400     -0.5617000       1.213600    
 H   -6.511200      -1.528900     -0.2893000    
 H    3.689300      -3.567000      -1.000100    
 H    5.311900      -2.956400     -0.5616000    
 H   -5.615400      -2.499400       2.474400    
 H   -5.565300      -3.450500      0.9957000    
 H   -7.136600      -2.951300       1.667800    
 H    4.767200      -5.038200      0.7059000    
 H    4.915400      -3.645800       1.805200    
 H    3.319500      -4.246400       1.373700    


%chk=000227104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227104

0 1
Cl 3.177607 3.781053 0.405418
O -5.217039 -0.922275 -0.081711
O 4.635312 -1.789665 0.298152
O -5.519333 1.391061 -0.022926
O 2.456025 -2.606136 0.176501
N -1.240713 1.437530 0.146270
N 1.426750 1.674400 0.263041
C -1.024247 0.041455 0.114465
C -2.306815 -0.591764 0.044785
C -3.276697 0.465514 0.036553
C -2.571733 1.720498 0.101409
C 0.280754 -0.506699 0.150121
C 1.458019 0.252691 0.220365
C -2.539375 -2.074952 -0.007619
C 2.847123 -0.206720 0.265513
C -3.099454 3.120685 0.122304
C 3.665108 0.947225 0.337451
C -4.740366 0.397544 -0.023037
C 2.713184 2.042655 0.330123
C 3.244789 -1.620934 0.240813
C 5.157391 1.082313 0.407163
C -6.703281 -1.062769 -0.139660
C 5.112836 -3.205895 0.279342
C -7.003895 -2.556782 -0.208589
C 6.634737 -3.157502 0.369641
H -0.399871 2.058497 0.198520
H 0.401997 -1.594343 0.123376
H -3.091527 -2.355305 -0.922117
H -1.590508 -2.635788 0.018238
H -3.169553 -2.405296 0.836957
H -3.756428 3.277170 0.996079
H -2.277026 3.855305 0.148714
H -3.734499 3.311223 -0.760200
H 5.561804 0.560943 1.292783
H 5.639959 0.615787 -0.469930
H 5.450951 2.144290 0.452887
H -7.133742 -0.585468 0.759426
H -7.072148 -0.515151 -1.025793
H 4.653387 -3.740177 1.130618
H 4.757816 -3.680481 -0.653422
H -6.610112 -3.080886 0.679237
H -6.554978 -3.009927 -1.109220
H -8.097003 -2.715824 -0.248643
H 7.043141 -4.184478 0.355103
H 7.063384 -2.601818 -0.482022
H 6.959668 -2.668404 1.304018


