%chk=000068725.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068725

0 1
 Cl   1.828900      -3.912300     -0.2244000    
 S   -1.286600      -2.829500     -0.2236000    
 N   -1.294200      0.2124000     -0.1451000    
 N   -3.779700       1.620100     -0.1542000    
 N    1.062400      0.4681000     -0.1181000    
 N    3.394000      0.7296000     -9.1200002E-02
 N    2.523100      -1.448200     -0.1548000    
 C   -1.665500       1.058000      0.9965000    
 C   -1.948500      0.5390000      -1.415800    
 C   -3.187700       1.167300       1.110800    
 C   -3.461800      0.6663000      -1.223800    
 C  -1.9099999E-02 -0.3642000     -0.1490000    
 C   -5.227500       1.773300     -1.7000001E-02
 C   0.1356000      -1.752400     -0.1835000    
 C    2.271000     -0.1256000     -0.1230000    
 C    3.282700       2.154300     -5.7100002E-02
 C    1.428000      -2.235800     -0.1847000    
 C    4.585900       2.771400     -0.5469000    
 C    2.953500       2.605000       1.360200    
 C   -1.594400      -3.096700       1.544700    
 H   -1.221200       2.054200      0.8745000    
 H   -1.273400      0.6328000       1.928800    
 H   -1.751200     -0.2376000      -2.164500    
 H   -1.535300       1.478300      -1.804900    
 H   -3.420800       1.879800       1.911300    
 H   -3.603600      0.1949000       1.407300    
 H   -3.888000     -0.3214000      -1.001800    
 H   -3.899500       1.004800      -2.170800    
 H   -5.722400      0.8307000      0.2437000    
 H   -5.664600       2.145700     -0.9501000    
 H   -5.464000       2.512300      0.7567000    
 H    2.492400       2.498100     -0.7364000    
 H    4.302000      0.2819000     -4.1299999E-02
 H    4.523300       3.864700     -0.5503000    
 H    5.430500       2.482400      8.9000002E-02
 H    4.813900       2.442900      -1.567100    
 H    1.992600       2.208100       1.703300    
 H    2.896600       3.697500       1.415000    
 H    3.718300       2.272000       2.071400    
 H   -2.456100      -3.758400       1.664600    
 H   -1.810000      -2.146700       2.040900    
 H  -0.7254000      -3.562200       2.017100    


%chk=000068725-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068725

0 1
Cl 2.002686 -3.968254 -0.984289
S -1.124039 -3.116335 -0.508802
N -1.279618 0.176923 -0.372219
N -3.861756 1.476981 -0.269855
N 1.038963 0.424542 -0.171056
N 3.366989 0.737279 0.022977
N 2.613082 -1.401432 -0.521723
C -1.400527 1.581937 0.091721
C -2.354332 -0.180494 -1.335722
C -2.794846 1.807527 0.701981
C -3.738249 0.071015 -0.717537
C -0.020190 -0.422590 -0.394083
C -5.210018 1.795275 0.236444
C 0.200540 -1.846497 -0.569117
C 2.299178 -0.090559 -0.214378
C 3.257098 2.171234 0.359789
C 1.565736 -2.221069 -0.659197
C 4.550556 2.889008 -0.075126
C 2.958542 2.374953 1.865458
C -1.674719 -2.876230 1.289584
H -1.249372 2.278737 -0.758986
H -0.611424 1.780682 0.831927
H -2.262505 -1.236799 -1.624941
H -2.243270 0.457540 -2.238432
H -2.891672 2.871986 0.987092
H -2.884309 1.193679 1.636859
H -3.896485 -0.648394 0.128073
H -4.513506 -0.129592 -1.480114
H -5.491878 1.209764 1.148416
H -5.959722 1.587151 -0.547806
H -5.268712 2.869324 0.488393
H 2.399788 2.565022 -0.217442
H 4.286585 0.294888 -0.025412
H 4.480931 3.967899 0.147823
H 5.428285 2.491881 0.471218
H 4.728807 2.769217 -1.158484
H 2.037225 1.836925 2.147631
H 2.818546 3.448508 2.090437
H 3.791381 1.995685 2.486009
H -2.532257 -3.551074 1.440446
H -1.978017 -1.829557 1.446536
H -0.849299 -3.151785 1.962308


