%chk=000042514.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042514

0 1
 Cl  -3.037400       4.133500       1.724600    
 N   0.7225000      0.6962000      -1.134900    
 N    1.986100      0.8996000      -1.747600    
 N    4.162900      -1.613200       1.021600    
 C    3.089100      0.2095000      -1.060100    
 C  -2.2500001E-02   1.661600     -0.4958000    
 C    3.118100      0.5257000      0.4369000    
 C   -1.190700       1.045700     -4.1800000E-02
 C   -1.120300     -0.3214000     -0.4306000    
 C   6.7199998E-02 -0.5054000      -1.100800    
 C    4.268400     -0.1659000       1.170900    
 C    1.995600      0.5939000      -3.187100    
 C   0.2458000       3.019100     -0.2869000    
 C   -2.054800      -1.389000     -0.2166000    
 C   -2.139200       1.820400      0.6550000    
 C  -0.7095000       3.767600      0.4066000    
 C   -1.884200       3.179600      0.8712000    
 C   -2.145600      -2.433000      -1.138000    
 C   -2.873500      -1.384500      0.9134000    
 C    2.917100      -2.102300       1.614400    
 C    5.313100      -2.279300       1.634700    
 C   -3.054100      -3.470700     -0.9301000    
 C   -3.781900      -2.422400       1.121300    
 C   -3.872200      -3.465500      0.1996000    
 H    3.007200     -0.8723000      -1.221700    
 H    4.041400      0.5292000      -1.501900    
 H    2.170100      0.3033000      0.9359000    
 H    3.257300       1.609000      0.5577000    
 H   0.5108000      -1.388700      -1.543300    
 H    4.264100      0.1340000       2.226800    
 H    5.214500      0.1859000      0.7401000    
 H    1.861900     -0.4745000      -3.389400    
 H    1.199900       1.145900      -3.700100    
 H    2.942300      0.9134000      -3.636500    
 H    1.158900       3.482500     -0.6455000    
 H   -3.075500       1.394600       1.001000    
 H  -0.5174000       4.824600      0.5788000    
 H   -1.537600      -2.463900      -2.038400    
 H   -2.798600     -0.6255000       1.684600    
 H    2.038700      -1.811000       1.031700    
 H    2.787500      -1.768100       2.650300    
 H    2.902700      -3.199100       1.615700    
 H    5.261200      -3.362300       1.476400    
 H    5.374400      -2.089700       2.712500    
 H    6.246300      -1.940900       1.170800    
 H   -3.127100      -4.281500      -1.649100    
 H   -4.410100      -2.425700       2.007400    
 H   -4.578100      -4.274700      0.3627000    


%chk=000042514-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042514

0 1
Cl -3.304217 4.239346 1.458153
N 0.787216 0.755221 -1.150974
N 2.072539 1.046813 -1.701970
N 4.069755 -1.711556 1.081197
C 3.161426 0.275504 -1.022517
C -0.023209 1.723373 -0.544129
C 3.270501 0.615108 0.472843
C -1.218725 1.059394 -0.092985
C -1.095350 -0.353227 -0.442972
C 0.139320 -0.489312 -1.091881
C 4.327921 -0.252768 1.189091
C 2.072093 0.889536 -3.181473
C 0.195920 3.106540 -0.382840
C -2.051571 -1.448634 -0.185815
C -2.238899 1.837607 0.521128
C -0.815797 3.859503 0.244132
C -2.005943 3.211173 0.671854
C -2.181119 -2.531372 -1.102421
C -2.858954 -1.467643 0.987010
C 2.839780 -2.136384 1.784241
C 5.241182 -2.505006 1.508710
C -3.074114 -3.594151 -0.853188
C -3.759642 -2.526236 1.231782
C -3.873411 -3.596371 0.314352
H 3.037349 -0.824152 -1.143100
H 4.099691 0.555109 -1.538350
H 2.284305 0.493328 0.957578
H 3.546331 1.680180 0.591814
H 0.615318 -1.390371 -1.474538
H 4.390732 0.073431 2.260603
H 5.321726 -0.059544 0.738269
H 1.978518 -0.169280 -3.515341
H 1.237434 1.470524 -3.605478
H 3.019925 1.296637 -3.573414
H 1.120540 3.570030 -0.737055
H -3.183203 1.394501 0.846378
H -0.697424 4.935740 0.397587
H -1.594497 -2.521992 -2.028922
H -2.751374 -0.669833 1.729622
H 1.952966 -1.640335 1.354151
H 2.864292 -1.910858 2.881099
H 2.705561 -3.225770 1.661735
H 5.044102 -3.579164 1.341602
H 5.500301 -2.367751 2.589873
H 6.124286 -2.221487 0.908237
H -3.158243 -4.413906 -1.575953
H -4.366996 -2.519906 2.144088
H -4.573544 -4.417289 0.504587


