%chk=000164061.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164061

0 1
 S    4.308200       2.684200      0.1830000    
 O  -0.2663000       3.951400     -1.7800000E-02
 O   -2.932500       1.850300       1.353000    
 N    1.076900     -0.2724000     -0.4252000    
 N  -3.4800000E-02  0.4640000     -0.5995000    
 N   -3.216500      0.4341000     -0.4985000    
 N   -3.448600       4.776100     -0.8982000    
 C    2.156100      0.4489000      2.7000001E-03
 C    1.711500       1.749500      0.1178000    
 C    3.504200     -3.4100000E-02  0.2629000    
 C   0.3562000       1.696100     -0.2635000    
 C    2.531100       2.886300      0.5877000    
 C    4.550100      0.9064000      0.3940000    
 C   0.9318000      -1.652900     -0.5763000    
 C  -0.5845000       2.778700     -0.3288000    
 C    3.785800      -1.401300      0.3908000    
 C    5.855600      0.4573000      0.6384000    
 C   -2.055500       2.538800     -0.7750000    
 C    5.088500      -1.832700      0.6436000    
 C    6.120500     -0.9062000      0.7671000    
 C   0.4650000      -2.412100      0.4880000    
 C    1.255600      -2.246000      -1.788900    
 C   -2.780400       1.575800      0.1652000    
 C   0.3191000      -3.791000      0.3369000    
 C    1.109600      -3.625000      -1.940000    
 C   0.6414000      -4.397400     -0.8771000    
 C   -2.834200       3.793100     -0.8425000    
 C   -3.919100     -0.6655000      4.9500000E-02
 C   -4.272700      -1.721700     -0.7736000    
 C   -4.237200     -0.6622000       1.397300    
 C   -4.964400      -2.805900     -0.2332000    
 C   -4.928700      -1.746400       1.937800    
 C   -5.292200      -2.818200       1.122400    
 H    2.213900       3.828500      0.1340000    
 H    2.437100       2.986200       1.674200    
 H    3.052700      -2.187900      0.3549000    
 H    6.680900       1.159800      0.7306000    
 H   -2.002800       2.128300      -1.791300    
 H    5.297500      -2.893200      0.7524000    
 H    7.133800      -1.245400      0.9620000    
 H   0.2100000      -1.951500       1.439000    
 H    1.621300      -1.654600      -2.624200    
 H  -4.5800000E-02  -4.392400       1.164400    
 H    1.360700      -4.097300      -2.885200    
 H   0.5278000      -5.471100     -0.9949000    
 H   -3.015800      0.3580000      -1.492900    
 H   -4.021100      -1.722500      -1.830500    
 H   -3.990900      0.1258000       2.093200    
 H   -5.247000      -3.640700     -0.8679000    
 H   -5.184400      -1.757700       2.993500    
 H   -5.830400      -3.662500       1.543200    


%chk=000164061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000164061

0 1
S 4.163903 2.598395 0.183189
O -0.464731 3.853342 0.297063
O -4.008882 2.477926 0.603741
N 0.980172 -0.408743 -0.547839
N -0.153163 0.374755 -0.706618
N -3.009030 0.435115 -0.021780
N -3.071900 4.778707 -1.964714
C 2.040552 0.309539 0.023272
C 1.557894 1.617172 0.235922
C 3.391986 -0.165556 0.342066
C 0.204351 1.615471 -0.219367
C 2.379782 2.716548 0.834180
C 4.444309 0.802735 0.446729
C 0.959563 -1.764586 -1.048975
C -0.745667 2.749060 -0.239086
C 3.706294 -1.533273 0.575551
C 5.768110 0.385863 0.714708
C -2.095526 2.511529 -0.978932
C 5.026675 -1.941331 0.846750
C 6.064166 -0.981680 0.900201
C 0.128485 -2.720652 -0.424310
C 1.751773 -2.102674 -2.168627
C -3.151813 1.810716 -0.030841
C 0.093609 -4.038803 -0.931527
C 1.714977 -3.424388 -2.663362
C 0.886254 -4.392565 -2.048573
C -2.640559 3.769690 -1.502199
C -3.805157 -0.517791 0.678915
C -3.553182 -1.891260 0.410630
C -4.817555 -0.155274 1.607150
C -4.294187 -2.891276 1.071653
C -5.551527 -1.170116 2.258838
C -5.297512 -2.537206 2.003944
H 2.008621 3.710378 0.545841
H 2.416877 2.657141 1.935436
H 2.910120 -2.282328 0.553978
H 6.561723 1.135988 0.793894
H -1.896696 1.829250 -1.826910
H 5.243398 -2.999829 1.022268
H 7.094019 -1.290112 1.108733
H -0.466336 -2.437674 0.450165
H 2.381323 -1.341813 -2.640479
H -0.545465 -4.787126 -0.451140
H 2.325721 -3.694273 -3.531022
H 0.857970 -5.415624 -2.438050
H -2.172157 0.069609 -0.508745
H -2.799105 -2.168899 -0.336185
H -5.021305 0.899517 1.799828
H -4.096692 -3.946229 0.850214
H -6.331493 -0.884019 2.973146
H -5.875889 -3.313541 2.515774


