%chk=000009683.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009683

1 1
 Cl -0.1894000       4.834400     -0.1869000    
 S    3.613900     -0.1730000      6.1299998E-02
 N   -4.303500     -0.2964000     -0.1802000    
 N   0.5513000     -0.2304000      0.5925000    
 C   -3.265300     -0.2687000      0.8791000    
 C   -1.889200     -0.2408000      0.2259000    
 C  -0.7602000     -0.2598000       1.252900    
 C   -4.176300      0.9254000      -1.101000    
 C   -4.169200      -1.559200      -1.042700    
 C   -5.710400     -0.2860000      0.4338000    
 C    1.098000       1.040700      0.2830000    
 C    1.140400      -1.475300      0.2550000    
 C    2.470000       1.191700     -3.0000001E-04
 C    2.516400      -1.573600     -3.1399999E-02
 C   0.2969000       2.201200      0.2083000    
 C   0.3789000      -2.660200      0.1547000    
 C    3.005700       2.453500     -0.3139000    
 C    3.094100      -2.809300     -0.3732000    
 C   0.8337000       3.452100     -0.1088000    
 C   0.9572000      -3.884900     -0.1901000    
 C    2.190100       3.578800     -0.3668000    
 C    2.316900      -3.960100     -0.4513000    
 H   -3.390100      -1.158400       1.507700    
 H   -3.425500      0.6230000       1.496900    
 H   -1.758300      -1.089300     -0.4458000    
 H   -1.780600      0.6354000     -0.4124000    
 H  -0.8648000      0.5822000       1.950600    
 H  -0.8527000      -1.135700       1.909100    
 H   -4.093900       1.821700     -0.4794000    
 H   -3.313700      0.8121000      -1.762000    
 H   -5.079500      0.9793000      -1.717800    
 H   -3.304800      -1.475500      -1.705300    
 H   -4.085200      -2.425100     -0.3796000    
 H   -5.070200      -1.645400      -1.658700    
 H   -5.815900      0.6285000       1.024800    
 H   -6.448900     -0.3095000     -0.3729000    
 H   -5.808600      -1.169800       1.070800    
 H  -0.7650000       2.178200      0.4276000    
 H  -0.6860000      -2.687700      0.3602000    
 H    4.067400       2.572600     -0.5213000    
 H    4.159000      -2.888200     -0.5828000    
 H   0.3414000      -4.777800     -0.2489000    
 H    2.626700       4.542600     -0.6140000    
 H    2.771700      -4.909500     -0.7166000    


%chk=000009683-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009683

1 1
Cl -1.172815 4.295494 -0.287923
S 3.629223 0.048029 0.307309
N -4.283284 0.063922 -0.263119
N 0.584193 -0.527381 0.762820
C -3.217349 -0.310503 0.808672
C -1.890976 -0.856673 0.256351
C -0.748634 -0.751389 1.337735
C -3.813531 1.256051 -1.101329
C -4.569142 -1.125380 -1.176715
C -5.569385 0.456984 0.466967
C 0.898751 0.796158 0.335535
C 1.364921 -1.666929 0.359765
C 2.229876 1.180156 -0.003014
C 2.749080 -1.541896 0.060956
C -0.112528 1.792638 0.242151
C 0.781449 -2.958282 0.253026
C 2.512056 2.481834 -0.461828
C 3.510014 -2.655746 -0.345493
C 0.204681 3.091955 -0.191844
C 1.552899 -4.082497 -0.114620
C 1.501355 3.469516 -0.561412
C 2.920556 -3.937309 -0.422869
H -3.705381 -1.042540 1.476680
H -3.054008 0.618891 1.385435
H -2.002893 -1.904590 -0.070138
H -1.557522 -0.276380 -0.621324
H -0.963401 0.087193 2.026104
H -0.719020 -1.663829 1.954792
H -3.590262 2.106322 -0.438368
H -2.911275 0.983650 -1.665705
H -4.616959 1.528425 -1.802680
H -3.662060 -1.377363 -1.743557
H -4.880152 -1.985062 -0.563431
H -5.376724 -0.851433 -1.872830
H -5.357182 1.303376 1.137798
H -6.329426 0.750852 -0.272927
H -5.930859 -0.402724 1.051396
H -1.144084 1.585977 0.525293
H -0.281243 -3.109534 0.461906
H 3.541522 2.742143 -0.727710
H 4.570159 -2.521074 -0.583800
H 1.077005 -5.067060 -0.166703
H 1.731400 4.480799 -0.903615
H 3.523455 -4.800989 -0.717638


