%chk=000113248.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113248

0 1
 Cl  -2.485700       2.636700      0.7426000    
 Cl  -2.440500      -2.399300      -1.342100    
 O    5.370200       2.288100      -1.663900    
 O    6.602600      -1.982800      0.9801000    
 O   -7.382200      0.8697000      0.6501000    
 O   -7.364600      -1.158400     -0.1898000    
 N    4.927200      6.0199998E-02  2.7000001E-03
 N  -0.6311000     -0.2373000      0.5999000    
 N   -1.195900      0.1866000     -0.4358000    
 N   -6.769800     -0.1121000      0.1648000    
 C    5.532400     -8.1600003E-02  -1.306800    
 C    5.780700      0.2674000       1.155900    
 C    3.527300     -1.5699999E-02  0.1546000    
 C    5.044300       1.023900      -2.227500    
 C    6.010200      -1.050600       1.875900    
 C    2.824800       1.063100      0.6916000    
 C    2.844900      -1.168500     -0.2338000    
 C    1.439900      0.9890000      0.8404000    
 C    1.460000      -1.242600     -8.5100003E-02
 C   0.7575000     -0.1638000      0.4519000    
 C   -2.591400      0.1124000     -0.2867000    
 C   -3.293100       1.191500      0.2493000    
 C   -3.272400      -1.041100     -0.6737000    
 C   -5.360100     -3.6300000E-02  1.1500000E-02
 C   -4.678000       1.117100      0.3985000    
 C   -4.657300      -1.115500     -0.5245000    
 H    6.625200     -2.6799999E-02  -1.232700    
 H    5.300100      -1.061400      -1.739500    
 H    6.745500      0.6826000      0.8395000    
 H    5.349800      0.9972000       1.850600    
 H    5.526400      0.9484000      -3.207500    
 H    3.962200      0.9885000      -2.386000    
 H    5.071800      -1.480400       2.239700    
 H    6.678200     -0.9163000       2.732500    
 H    3.338500       1.973500      0.9891000    
 H    3.377000      -2.022000     -0.6454000    
 H   0.9016000       1.835600       1.258500    
 H   0.9379000      -2.146500     -0.3881000    
 H    6.335000       2.317100      -1.545700    
 H    7.449500      -1.607500      0.6845000    
 H   -5.207700       1.969300      0.8191000    
 H   -5.171200      -2.023900     -0.8319000    


%chk=000113248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113248

0 1
Cl -2.572057 -2.524673 1.045135
Cl -3.024287 2.736594 -0.886029
O 7.133063 0.099448 -2.287005
O 6.926623 0.426596 2.169101
O -7.683531 -1.220986 1.017649
O -7.887983 0.928745 0.265580
N 4.881809 0.046150 -0.145562
N -0.741886 -0.602710 -0.449559
N -1.516448 0.351236 0.018507
N -7.183683 -0.113771 0.570584
C 5.786332 -1.059335 -0.523052
C 5.519648 1.305499 0.291918
C 3.498725 -0.091211 -0.208226
C 6.223185 -1.026551 -2.004495
C 5.837562 1.351247 1.803102
C 2.623011 0.912337 0.347819
C 2.884592 -1.235825 -0.827065
C 1.237154 0.781238 0.286051
C 1.494132 -1.360488 -0.883203
C 0.640787 -0.361739 -0.332544
C -2.900133 0.116163 0.069950
C -3.543593 -1.070424 0.555380
C -3.766798 1.215346 -0.235509
C -5.722816 -0.033463 0.399057
C -4.930813 -1.153821 0.730999
C -5.154622 1.164500 -0.091269
H 6.670999 -1.005310 0.137334
H 5.294848 -2.023646 -0.302257
H 6.446063 1.430862 -0.297868
H 4.867931 2.156254 0.024969
H 6.693614 -1.995722 -2.274442
H 5.353768 -0.860247 -2.660703
H 4.969537 1.013102 2.391652
H 6.084515 2.393119 2.098339
H 3.040165 1.788105 0.851805
H 3.496449 -2.015659 -1.286721
H 0.580979 1.545544 0.714426
H 1.027002 -2.227291 -1.362000
H 8.046800 -0.141993 -1.990830
H 7.794409 0.840492 1.930943
H -5.408124 -2.059860 1.111246
H -5.797228 2.009650 -0.346407


