%chk=000045438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045438

0 1
 Cl   4.032000       2.278800      -2.041300    
 N  -0.3239000     -0.1150000     -0.6337000    
 N   -1.426400       1.404600       1.719200    
 N    1.558600      -2.877200      0.5391000    
 C   3.3000000E-02  -1.249100      -1.497900    
 C  -0.4445000      -2.565900     -0.8864000    
 C   0.7675000      0.7183000     -0.2730000    
 C   -1.707300      0.1470000     -0.4149000    
 C   0.8803000       1.247100       1.025600    
 C  -0.1313000      0.8784000       2.068600    
 C   0.1010000      -2.852600      0.5159000    
 C   -2.195000      0.9326000      0.6621000    
 C    1.768800       1.053500      -1.208100    
 C   -2.663400     -0.3274000      -1.351800    
 C    1.956100       2.085800       1.361500    
 C   -3.579300       1.225000      0.7287000    
 C    2.835900       1.887200     -0.8673000    
 C    2.928400       2.405200      0.4178000    
 C   -4.025500     -3.7000000E-02  -1.253400    
 C   -4.484700      0.7484000     -0.2133000    
 C    2.069600      -3.957300     -0.3069000    
 C    2.050100      -3.030400       1.909600    
 H  -0.3482000      -1.115900      -2.517100    
 H    1.117800      -1.348400      -1.627500    
 H  -0.1981000      -3.383100      -1.574600    
 H   -1.536800      -2.601800     -0.8183000    
 H  -0.3087000      -3.811400      0.8621000    
 H  -0.2812000      -2.098600       1.208500    
 H  -0.1637000     -0.2034000       2.225800    
 H   0.1586000       1.303600       3.037200    
 H   -1.862900       2.046400       2.372300    
 H    1.700300      0.6921000      -2.233000    
 H   -2.375800     -0.9091000      -2.223100    
 H    2.045000       2.490900       2.366500    
 H   -3.965900       1.826600       1.550900    
 H    3.751500       3.055700      0.7012000    
 H   -4.717300     -0.4146000      -2.000400    
 H   -5.540100      0.9867000     -0.1278000    
 H    1.894900      -3.765500      -1.369700    
 H    1.640700      -4.931400     -4.5100000E-02
 H    3.159000      -4.034700     -0.2059000    
 H    3.145100      -2.999500       1.932000    
 H    1.720700      -3.971600       2.364400    
 H    1.702500      -2.202500       2.537700    


%chk=000045438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045438

0 1
Cl 3.882340 2.593430 -2.209845
N -0.271279 -0.126977 -0.457557
N -1.529751 1.317466 1.880065
N 1.594623 -3.294552 0.437018
C 0.124363 -1.275522 -1.316953
C -0.477130 -2.613949 -0.833818
C 0.735207 0.858048 -0.198992
C -1.677251 0.224829 -0.376256
C 0.827764 1.458558 1.090872
C -0.128683 0.987469 2.168076
C 0.130041 -3.067760 0.511579
C -2.251571 0.917090 0.749675
C 1.679878 1.209622 -1.201860
C -2.538064 -0.131959 -1.447663
C 1.833058 2.415537 1.341817
C -3.644602 1.221499 0.722572
C 2.678049 2.151200 -0.903269
C 2.777427 2.777648 0.352285
C -3.917232 0.165416 -1.451688
C -4.472855 0.857772 -0.354326
C 1.954978 -4.542777 -0.264268
C 2.256550 -3.193372 1.753232
H -0.124072 -1.105678 -2.387390
H 1.221223 -1.372600 -1.239270
H -0.294886 -3.375695 -1.617087
H -1.573855 -2.532233 -0.721018
H -0.410953 -3.979304 0.873741
H -0.050748 -2.268603 1.254944
H -0.010086 -0.110982 2.292976
H 0.130646 1.454985 3.133709
H -2.038921 1.858687 2.575822
H 1.618437 0.771071 -2.200924
H -2.115314 -0.646617 -2.315399
H 1.903658 2.872342 2.336302
H -4.075814 1.744867 1.586602
H 3.564513 3.508127 0.555893
H -4.537978 -0.132638 -2.302735
H -5.539208 1.107144 -0.330232
H 1.526568 -4.550779 -1.281359
H 1.596991 -5.462283 0.266675
H 3.053345 -4.609644 -0.362371
H 3.350447 -3.286725 1.626625
H 1.927953 -3.978279 2.481823
H 2.049589 -2.203380 2.198177


