%chk=000064067.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064067

0 1
 S    1.847600      0.9447000      0.9130000    
 O  -0.1005000       2.580800      0.2448000    
 N  -0.5851000      0.2817000      5.5799998E-02
 N   -2.845600     -0.4198000     -0.1951000    
 N    2.737700      -1.019100     -0.4713000    
 N    1.367500      -1.016000     -0.6655000    
 C    5.231100       1.196500     -0.2208000    
 C    4.512400      0.2234000      0.7373000    
 C   -1.583300     -0.7029000     -8.1000000E-02
 C    6.685900       1.439800      0.1809000    
 C   -2.339600       1.965300      5.4499999E-02
 C    3.119400     -4.8099998E-02  0.3308000    
 C  -0.8972000       1.650700      0.1502000    
 C   0.7907000     -4.4599999E-02 -3.9999999E-04
 C   -3.246100      0.9209000     -0.1427000    
 C   -1.238600      -2.143800     -1.9099999E-02
 C    7.386400       2.368700     -0.7978000    
 C   -2.782800       3.291400      0.1282000    
 C   -4.608000       1.221600     -0.2648000    
 C  -0.9759000      -2.840000      -1.193800    
 C   -1.180700      -2.785900       1.212900    
 C   -4.142200       3.575500      5.2000000E-03
 C   -5.054300       2.541800     -0.1925000    
 C  -0.6514000      -4.195300      -1.135900    
 C  -0.8561000      -4.141300       1.270800    
 C  -0.5915000      -4.846000      9.6400000E-02
 H    4.694300       2.153300     -0.2448000    
 H    5.195900      0.7920000      -1.240700    
 H    4.551100      0.6207000       1.759300    
 H    5.063600     -0.7253000      0.7593000    
 H    6.725100       1.875800       1.185700    
 H    7.224900      0.4862000      0.2194000    
 H    6.889000       3.343000     -0.8383000    
 H    7.392800       1.943700      -1.806500    
 H    8.424500       2.529800     -0.4905000    
 H   -2.087800       4.113100      0.2770000    
 H   -5.332700      0.4246000     -0.4140000    
 H   -1.021300      -2.341900      -2.158600    
 H   -1.384500      -2.244700       2.132900    
 H   -4.489500       4.603000      6.1700001E-02
 H   -6.113400       2.762500     -0.2884000    
 H  -0.4453000      -4.743900      -2.050300    
 H  -0.8089000      -4.647900       2.230400    
 H  -0.3386000      -5.901200      0.1416000    


%chk=000064067-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064067

0 1
S 2.028311 0.658254 1.056047
O -0.183999 2.673184 0.443699
N -0.638015 0.387249 0.065075
N -2.887610 -0.412437 -0.270951
N 2.587555 -0.724801 -1.160569
N 1.196789 -0.538860 -1.187812
C 5.299243 1.231218 -0.064684
C 4.668153 -0.177953 0.126885
C -1.605447 -0.664925 -0.072075
C 6.830269 1.213007 0.142344
C -2.477819 2.015278 -0.005374
C 3.184866 -0.189824 -0.093790
C -1.042154 1.781236 0.204881
C 0.743796 0.127451 -0.125678
C -3.343090 0.913872 -0.297258
C -1.179638 -2.082743 0.078361
C 7.466668 2.605716 -0.053396
C -2.989722 3.338653 0.030328
C -4.716943 1.161850 -0.566975
C -1.832265 -3.068006 -0.706584
C -0.209733 -2.485681 1.033987
C -4.349313 3.569336 -0.236859
C -5.210730 2.476760 -0.540697
C -1.502152 -4.429970 -0.558542
C 0.107059 -3.850836 1.190310
C -0.528860 -4.826834 0.388361
H 4.837310 1.945638 0.645740
H 5.061208 1.596953 -1.082119
H 4.910278 -0.550735 1.140862
H 5.109902 -0.882108 -0.601538
H 7.057870 0.838710 1.161442
H 7.287523 0.492521 -0.565708
H 7.045482 3.338969 0.659655
H 7.280743 2.986225 -1.074953
H 8.560480 2.573132 0.101420
H -2.299624 4.157547 0.257401
H -5.363283 0.305713 -0.781209
H -2.593242 -2.747454 -1.424171
H 0.272612 -1.745150 1.680511
H -4.748144 4.588686 -0.213569
H -6.269785 2.663566 -0.749289
H -2.001767 -5.180926 -1.179921
H 0.848416 -4.153019 1.937914
H -0.272199 -5.885662 0.503801


