%chk=000106268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106268

1 1
 S   -5.505700     -1.1000000E-03 -0.1996000    
 O   -6.134600      2.0999999E-03   1.309600    
 O   -5.879400       1.263000     -0.8175000    
 O   -5.851700      -1.265500     -0.8302000    
 N   0.3794000      6.9999998E-04  0.5619000    
 N   0.9550000     -1.5000000E-03 -0.5516000    
 N    6.476900      1.2000001E-03  0.1631000    
 N    7.560500      1.1000000E-03  0.3032000    
 C   -3.774400     -7.9999998E-04  2.4900001E-02
 C   -3.082400      -1.208500      0.1171000    
 C   -3.082800       1.207600      0.1116000    
 C   -1.014400      1.9999999E-04  0.3820000    
 C   -1.699100      -1.208000      0.2961000    
 C   -1.699400       1.208000      0.2905000    
 C    2.342100     -6.9999998E-04 -0.3731000    
 C    3.034200      -1.208200     -0.2813000    
 C    3.033200       1.207700     -0.2853000    
 C    5.108700      1.2000001E-03 -1.4000000E-02
 C    4.417400      -1.207300     -0.1017000    
 C    4.416500       1.208700     -0.1058000    
 H   -3.600200      -2.161800      6.0100000E-02
 H   -3.601500       2.160000      4.9699999E-02
 H   -1.168000      -2.153300      0.3694000    
 H   -1.168400       2.153600      0.3592000    
 H    2.504600      -2.154900     -0.3490000    
 H    2.502800       2.153800     -0.3562000    
 H    4.949500      -2.152200     -3.1300001E-02
 H    4.947800       2.154400     -3.8600001E-02
 H   -5.908800      0.7886000       1.860000    


%chk=000106268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106268

1 1
S -5.687055 0.144582 0.011729
O -5.746681 -1.443550 0.952480
O -6.336547 1.331847 0.891703
O -6.106432 -0.110026 -1.526624
N 0.342005 0.617466 0.424672
N 1.111251 0.187619 -0.537248
N 6.597474 -0.423364 0.151052
N 7.748019 -0.555726 0.277730
C -3.801861 0.257807 0.120213
C -3.051878 -0.325284 -0.922819
C -3.251210 0.947166 1.213073
C -1.053587 0.466021 0.239574
C -1.654751 -0.217256 -0.863981
C -1.848642 1.051724 1.269081
C 2.486560 0.091932 -0.300714
C 3.028352 -0.228739 0.990420
C 3.348728 0.210545 -1.437809
C 5.246498 -0.258817 0.000941
C 4.401015 -0.396981 1.153350
C 4.725440 0.046549 -1.302364
H -3.559265 -0.826633 -1.753209
H -3.896441 1.393044 1.975981
H -1.020843 -0.642510 -1.647366
H -1.348085 1.571644 2.091129
H 2.350661 -0.327240 1.843256
H 2.907627 0.432463 -2.413391
H 4.833152 -0.617350 2.134126
H 5.395744 0.143247 -2.161020
H -6.701447 -1.732082 1.049234


