%chk=000166572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166572

0 1
 S    3.347900      -2.046400      -1.427500    
 O   -1.575900      -1.578200     -5.3500000E-02
 N    2.693700     -0.7665000      0.7057000    
 N    2.558800      0.5621000      -1.155800    
 N   -2.660300      0.5062000     -0.1163000    
 C    2.194800       1.384900      6.9200002E-02
 C    2.487800      0.5045000       1.328900    
 C    3.274300      -1.947500       1.283400    
 C    2.809100     -0.6028000     -0.6338000    
 C   0.7650000       1.878600      1.0200000E-02
 C    3.255700      -2.992800      0.1547000    
 C  -0.2890000      0.9646000     -2.5599999E-02
 C   0.4993000       3.248400     -8.9999996E-03
 C   -1.606400       1.419800     -8.0600001E-02
 C  -0.8180000       3.703600     -6.3900001E-02
 C   -1.870700       2.789300     -9.9500000E-02
 C   -3.986400      -1.537200     -0.1559000    
 C   -2.595800     -0.8968000     -0.1051000    
 C   -3.950100      -2.878900     -0.8847000    
 C   -4.533800      -1.715200       1.259100    
 H    2.875400       2.245900      9.0099998E-02
 H    3.407400      0.8437000       1.818500    
 H    1.676000      0.4884000       2.062200    
 H    2.712000      -2.296600       2.155000    
 H    4.305600      -1.746400       1.595600    
 H    4.080500      -3.705100      0.2398000    
 H    2.308400      -3.541700      0.1595000    
 H  -2.7700000E-02 -8.2900003E-02 -1.1500000E-02
 H    1.308600       3.973200      1.8300001E-02
 H   -1.024000       4.769900     -7.8699999E-02
 H   -2.892400       3.158400     -0.1421000    
 H   -4.659100     -0.8736000     -0.7134000    
 H   -3.588600      0.9218000     -0.1509000    
 H   -3.535700      -2.760900      -1.891800    
 H   -4.957200      -3.298300     -0.9791000    
 H   -3.327600      -3.607900     -0.3543000    
 H   -5.537700      -2.151600       1.239100    
 H   -4.593400     -0.7522000       1.777600    
 H   -3.886700      -2.368400       1.855000    


%chk=000166572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166572

0 1
S 3.529288 -1.932970 -1.486955
O -1.640535 -1.512866 0.523396
N 2.578179 -0.789682 0.745330
N 2.802082 0.766529 -0.982488
N -2.642648 0.505533 -0.145953
C 2.286821 1.509571 0.254593
C 2.471146 0.501017 1.461820
C 3.144375 -2.040578 1.257544
C 2.918418 -0.475407 -0.587961
C 0.841650 1.956411 0.041388
C 3.125746 -3.006299 0.048718
C -0.204379 1.001792 0.069175
C 0.550498 3.317428 -0.209968
C -1.541003 1.412848 -0.152931
C -0.784065 3.724586 -0.437567
C -1.828749 2.781830 -0.408903
C -4.049342 -1.520555 0.052039
C -2.664116 -0.854015 0.167851
C -3.977167 -2.664297 -0.991514
C -4.474816 -2.062389 1.440717
H 2.919203 2.403804 0.392344
H 3.402710 0.717033 2.029744
H 1.613587 0.516604 2.154497
H 2.525715 -2.451023 2.075411
H 4.183484 -1.899273 1.635032
H 3.887517 -3.795647 0.125728
H 2.125581 -3.437735 -0.104969
H 0.005017 -0.054685 0.252709
H 1.363162 4.052316 -0.240417
H -1.011234 4.777634 -0.636380
H -2.864086 3.103548 -0.582417
H -4.799340 -0.775259 -0.286399
H -3.544231 0.915251 -0.401443
H -3.719184 -2.284484 -1.996705
H -4.948143 -3.188094 -1.056209
H -3.202500 -3.391045 -0.690878
H -5.447052 -2.582671 1.368441
H -4.569278 -1.251001 2.185294
H -3.718510 -2.778362 1.807185


