%chk=000004986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004986

0 1
 Cl  -5.000600     -7.4400000E-02  -1.413800    
 N   0.3320000       2.445400     -0.1125000    
 N    3.831400     -0.7663000     -2.4900001E-02
 N    2.190300       1.023800     -7.4199997E-02
 N  -8.4899999E-02  0.1410000     -5.7799999E-02
 N    2.470800      -2.531800      1.5100000E-02
 N  -0.5525000      -2.205300      7.9999998E-04
 C   -1.085500       2.753400     -0.1254000    
 C   -1.682900       2.600700       1.295800    
 C   -1.303200       4.158800     -0.7102000    
 C   -1.080200       3.556900       2.330000    
 C   -3.208800       2.750800       1.278200    
 C   0.8319000       1.157400     -8.1000000E-02
 C    5.059900     -9.4999997E-03 -4.1600000E-02
 C  -0.7295000       4.301200      -2.115400    
 C    2.561000     -0.2650000     -4.0800001E-02
 C    1.732400      -1.375400     -1.5100000E-02
 C   0.3617000      -1.137700     -2.4200000E-02
 C    3.725200      -2.131500      8.0000004E-03
 C    5.885200     -0.2857000      -1.299800    
 C    5.882000     -0.2245000       1.230400    
 C   -1.963000      -2.259600     -1.9000000E-03
 C   -2.698100      -1.256600     -0.6325000    
 C   -2.619600      -3.316700      0.6271000    
 C   -4.091800      -1.310600     -0.6343000    
 C   -4.013400      -3.370800      0.6254000    
 C   -4.749400      -2.367800     -5.2999998E-03
 H   -1.600200       2.053600     -0.7979000    
 H   -1.475100       1.582800       1.649900    
 H  -0.8336000       4.921600     -7.9000004E-02
 H   -2.372600       4.389700     -0.7576000    
 H    1.005100       3.201200     -5.7599999E-02
 H   -1.467500       3.327800       3.329100    
 H   9.3999999E-03   3.464900       2.373700    
 H   -1.329500       4.600800       2.116500    
 H   -3.657900       2.098800      0.5232000    
 H   -3.519300       3.780300       1.075300    
 H   -3.629200       2.469300       2.250100    
 H    4.780200       1.051400     -6.7599997E-02
 H   -1.149300       3.546800      -2.788500    
 H  -0.9749000       5.288300      -2.520700    
 H   0.3603000       4.204100      -2.122800    
 H    4.588200      -2.783200      2.5800001E-02
 H    5.291300     -0.1092000      -2.203500    
 H    6.761600      0.3698000      -1.338600    
 H    6.239600      -1.321800      -1.331200    
 H    6.236400      -1.257900       1.312600    
 H    6.758300      0.4323000       1.239600    
 H    5.285900     -4.6999999E-03   2.123000    
 H  -0.1133000      -3.108300      0.1589000    
 H   -2.208400     -0.4430000      -1.158900    
 H   -2.057600      -4.104000       1.123100    
 H   -4.525500      -4.193700       1.115500    
 H   -5.835000      -2.423200      1.3000000E-03


%chk=000004986-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004986

0 1
Cl -5.286269 0.060721 -0.217025
N 0.324506 2.440257 -0.048543
N 3.850669 -0.812519 0.042218
N 2.167464 1.012238 0.008106
N -0.149419 0.128016 -0.014619
N 2.427449 -2.619912 0.034064
N -0.556636 -2.256273 -0.015916
C -1.092620 2.854857 -0.019683
C -1.620673 2.961551 1.452475
C -1.249037 4.150084 -0.855990
C -0.911065 4.067439 2.268181
C -3.157245 3.134381 1.496235
C 0.791992 1.146803 -0.013051
C 5.098899 -0.006971 0.051467
C -0.987886 3.931316 -2.361824
C 2.552045 -0.289217 0.022477
C 1.694362 -1.419466 0.017508
C 0.293438 -1.159551 -0.005095
C 3.711498 -2.214462 0.048298
C 5.931315 -0.272212 -1.222473
C 5.902541 -0.256759 1.346755
C -1.963241 -2.346615 -0.066512
C -2.811045 -1.204786 -0.102970
C -2.538392 -3.650115 -0.085058
C -4.197599 -1.412632 -0.161786
C -3.935479 -3.809057 -0.142022
C -4.796290 -2.685901 -0.182591
H -1.666992 2.047857 -0.513682
H -1.379733 1.984048 1.918943
H -0.563291 4.930780 -0.465762
H -2.273799 4.540257 -0.715263
H 1.051041 3.157992 -0.029268
H -1.239938 4.037954 3.323222
H 0.187601 3.939357 2.259001
H -1.147871 5.074669 1.876318
H -3.671048 2.363772 0.891987
H -3.467285 4.128345 1.122416
H -3.524789 3.044661 2.535123
H 4.746979 1.041638 0.041042
H -1.716090 3.215750 -2.786725
H -1.075833 4.879007 -2.923898
H 0.022903 3.520645 -2.537853
H 4.567872 -2.883971 0.062749
H 5.332309 -0.083921 -2.130024
H 6.812662 0.393382 -1.242737
H 6.294318 -1.315906 -1.255348
H 6.263933 -1.300140 1.400190
H 6.783679 0.408651 1.378427
H 5.283537 -0.057268 2.238340
H -0.045112 -3.145498 -0.000216
H -2.364643 -0.210115 -0.084683
H -1.887982 -4.532749 -0.056288
H -4.365784 -4.815924 -0.156284
H -5.882127 -2.799786 -0.228555


