%chk=000049399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049399

0 1
 Cl  -4.035700       3.362500      -1.523600    
 N    4.244700       1.771800      0.2237000    
 C    2.019100      0.8694000      0.8608000    
 C    2.802500       1.917500      5.0999999E-02
 C  -0.2844000      0.1743000      0.1272000    
 C   0.5427000       1.088800      0.6674000    
 C   -1.732000      0.4780000      6.4000003E-02
 C   0.2798000      -1.124500     -0.3043000    
 C    2.349200      0.9303000       2.355500    
 C   -2.682900     -0.3864000      0.6395000    
 C  -0.2301000      -2.340200      0.1904000    
 C   -2.168100       1.633300     -0.6118000    
 C    1.321100      -1.146300      -1.251000    
 C   -2.334900      -1.603100       1.393700    
 C   -1.295900      -2.430900       1.203500    
 C    4.958600       2.813400     -0.5156000    
 C    4.683200      0.4459000     -0.2137000    
 C   -4.045800     -4.8900001E-02  0.5574000    
 C   0.3453000      -3.546600     -0.2470000    
 C   -3.524800       1.943400     -0.6954000    
 C    1.868400      -2.353000      -1.684200    
 C   -4.463400       1.104100     -0.1078000    
 C    1.383100      -3.553000      -1.179400    
 H    2.330400     -0.1314000      0.5820000    
 H    2.529400       1.856300      -1.011100    
 H    2.504100       2.918900      0.3914000    
 H   0.1491000       2.039900       1.023300    
 H    3.399100      0.6900000       2.551900    
 H    2.151800       1.926600       2.767800    
 H    1.742900      0.2111000       2.918600    
 H   -1.440500       2.294100      -1.080800    
 H    1.691600     -0.2292000      -1.702100    
 H   -3.035100      -1.865800       2.185800    
 H   -1.233500      -3.301000       1.855900    
 H    6.037800       2.739600     -0.3408000    
 H    4.778500       2.752300      -1.595100    
 H    4.654800       3.808100     -0.1705000    
 H    5.779200      0.3947000     -0.2233000    
 H    4.376300     -0.3451000      0.4764000    
 H    4.335300      0.2017000      -1.223900    
 H   -4.802300     -0.6879000       1.009200    
 H  -1.5100000E-02  -4.501300      0.1319000    
 H    2.666800      -2.354300      -2.420200    
 H   -5.525100       1.331700     -0.1584000    
 H    1.808500      -4.495300      -1.511800    


%chk=000049399-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049399

0 1
Cl -3.891545 3.546471 -1.458541
N 4.316072 1.804794 0.162637
C 2.072001 0.887547 0.932168
C 2.848031 1.855405 -0.014427
C -0.269923 0.050553 0.167639
C 0.582928 0.998496 0.671823
C -1.728086 0.377753 0.055053
C 0.195997 -1.282551 -0.330033
C 2.381104 1.217455 2.414924
C -2.743818 -0.437581 0.656359
C -0.329397 -2.513539 0.184096
C -2.102119 1.584682 -0.593896
C 1.225899 -1.333672 -1.306768
C -2.483436 -1.717901 1.324742
C -1.449466 -2.601109 1.129494
C 4.990378 3.000925 -0.380808
C 4.920323 0.554858 -0.338324
C -4.092656 0.025785 0.628530
C 0.257773 -3.740699 -0.246740
C -3.447781 1.986871 -0.619162
C 1.769844 -2.558259 -1.747821
C -4.462088 1.226550 -0.005113
C 1.291294 -3.772445 -1.200830
H 2.397916 -0.148639 0.725947
H 2.553225 1.640224 -1.076018
H 2.517406 2.890302 0.204195
H 0.132222 1.949922 0.998582
H 3.473953 1.247853 2.567529
H 1.970825 2.208296 2.691236
H 1.935839 0.464363 3.089214
H -1.333099 2.195960 -1.074638
H 1.595897 -0.390947 -1.724411
H -3.277675 -2.043910 2.011162
H -1.512334 -3.551962 1.677505
H 6.069531 2.957581 -0.146529
H 4.885347 3.108153 -1.491048
H 4.575741 3.909607 0.090848
H 6.006937 0.564402 -0.139592
H 4.491789 -0.318531 0.182024
H 4.770298 0.407764 -1.439931
H -4.869298 -0.581765 1.107523
H -0.127933 -4.680206 0.167479
H 2.564132 -2.565136 -2.502331
H -5.503189 1.560061 -0.025377
H 1.714840 -4.730281 -1.521871


