%chk=000157663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157663

0 1
 S  -0.3811000       2.848100      0.5455000    
 O   -1.822200       3.316200      0.3657000    
 N    2.203900      -1.393900      4.8999999E-02
 N   -2.475900      -1.632100     -0.1334000    
 N  -0.1341000      -1.544800     -4.6399999E-02
 N   0.9476000      0.5724000      0.2778000    
 N   -1.447100      0.4503000      0.1845000    
 C    3.461500     -0.6910000      0.1839000    
 C    3.805100     -1.8700000E-02  -1.138800    
 C    4.548700      -1.670200      0.6075000    
 C   0.9692000     -0.7704000      9.4899997E-02
 C   -1.294900     -0.8721000      8.5000005E-03
 C   -3.781500      -1.050900     -9.5600002E-02
 C  -0.2832000       1.108100      0.3117000    
 C   -4.856900      -2.102600     -0.3093000    
 C   0.5409000       3.451600     -0.9054000    
 H    3.389000      7.1599998E-02  0.9695000    
 H    2.208200      -2.390400     -0.1368000    
 H    4.768300      0.4983000      -1.071300    
 H    3.871900     -0.7510000      -1.951600    
 H    3.052800      0.7226000      -1.426900    
 H    4.291500      -2.149400       1.558600    
 H    5.507900      -1.157700      0.7353000    
 H    4.684100      -2.464100     -0.1356000    
 H   -3.951600     -0.5642000      0.8718000    
 H   -3.880000     -0.2870000     -0.8759000    
 H   -2.359400      -2.630500     -0.2634000    
 H   -4.735500      -2.596000      -1.279500    
 H   -4.810200      -2.874200      0.4666000    
 H   -5.850700      -1.645300     -0.2790000    
 H   8.8699996E-02   3.053300      -1.816800    
 H    1.583500       3.135000     -0.8301000    
 H   0.4914000       4.542800     -0.9163000    


%chk=000157663-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157663

0 1
S -0.359754 3.023065 0.723799
O -1.943280 3.501822 0.580188
N 2.215251 -1.396531 0.021773
N -2.458882 -1.624192 -0.165579
N -0.115439 -1.559592 -0.084166
N 0.970475 0.599912 0.289893
N -1.452005 0.471839 0.201734
C 3.520180 -0.707910 0.153521
C 3.949370 -0.062584 -1.185644
C 4.563605 -1.717031 0.672634
C 1.000149 -0.775759 0.073085
C -1.315702 -0.898610 -0.015188
C -3.812967 -1.037199 -0.100877
C -0.281550 1.100585 0.332166
C -4.872631 -2.128804 -0.318446
C 0.444829 3.497840 -0.971375
H 3.379078 0.097787 0.896431
H 2.192668 -2.402502 -0.159030
H 4.897151 0.492153 -1.058846
H 4.099584 -0.832610 -1.964935
H 3.177262 0.645223 -1.532866
H 4.258415 -2.144268 1.644403
H 5.539571 -1.219155 0.805455
H 4.707976 -2.546265 -0.047313
H -3.950028 -0.542868 0.878530
H -3.901219 -0.241712 -0.863144
H -2.344262 -2.627935 -0.317407
H -4.760461 -2.608787 -1.308397
H -4.812020 -2.911335 0.460697
H -5.881907 -1.685685 -0.271650
H -0.275964 3.189701 -1.742575
H 1.407971 2.974454 -1.057575
H 0.564434 4.590755 -0.950596


