%chk=000036843.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036843

1 1
 S    1.535100       1.458300      0.5253000    
 N   -2.279700     -7.0299998E-02  5.4000001E-03
 N    4.050800      0.9784000     -0.3032000    
 N    2.829300     -0.8635000      0.2493000    
 C   -1.183200      0.9285000      0.3464000    
 C   -2.207600     -0.4175000      -1.474600    
 C   -3.637800      0.5415000      0.3174000    
 C   -2.090300      -1.333800      0.8325000    
 C   0.1859000      0.3088000      0.1196000    
 C   -3.299800      -1.410300      -1.807400    
 C   -3.820300       1.796700     -0.5076000    
 C   -2.162900     -0.9825000       2.302400    
 C    2.885700      0.4365000      0.1359000    
 C    5.004600     -5.9599999E-02 -0.5557000    
 C    4.190300      -1.311200     -0.1857000    
 H   -1.329500       1.308900       1.362100    
 H   -1.272400       1.775000     -0.3423000    
 H   -1.254400     -0.9161000      -1.670700    
 H   -2.241000      0.4874000      -2.086200    
 H   -3.650400      0.8527000       1.365900    
 H   -4.435000     -0.1926000      0.1779000    
 H   -1.172700      -1.853000      0.5450000    
 H   -2.927600      -2.009200      0.6356000    
 H   0.3450000      1.5699999E-02 -0.9196000    
 H   0.3418000     -0.5565000      0.7644000    
 H   -3.228300      -1.636100      -2.879500    
 H   -3.196000      -2.378100      -1.312100    
 H   -4.313500      -1.030400      -1.666700    
 H   -4.803300       2.218400     -0.2601000    
 H   -3.109000       2.593500     -0.2799000    
 H   -3.850000       1.625800      -1.585600    
 H   -1.998000      -1.904900       2.874500    
 H   -1.386600     -0.2945000       2.642700    
 H   -3.141400     -0.6231000       2.629000    
 H    5.889100      4.5200001E-02  7.9099998E-02
 H    5.310500     -7.6600000E-02  -1.605800    
 H    4.236300       1.964200     -0.4394000    
 H    4.094100      -1.983600      -1.044800    
 H    4.669400      -1.862800      0.6301000    


%chk=000036843-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036843

1 1
S 1.676370 0.903019 -1.986647
N -2.070512 -0.294262 -0.372726
N 3.877091 0.987637 -0.310471
N 2.073559 -0.141773 0.571703
C -0.753225 0.468151 -0.684194
C -2.952032 -0.307201 -1.648914
C -2.784482 0.430647 0.799126
C -1.778863 -1.760660 0.056229
C 0.181938 -0.216995 -1.691909
C -4.362518 -0.885036 -1.480584
C -3.257819 1.859791 0.506306
C -0.819079 -1.917026 1.242395
C 2.581241 0.531073 -0.440167
C 4.404563 0.584487 1.020343
C 3.181684 -0.225721 1.600786
H -0.206402 0.581460 0.266664
H -1.050287 1.461145 -1.058269
H -2.390528 -0.890491 -2.397858
H -2.998165 0.737238 -1.999326
H -2.062708 0.429433 1.631360
H -3.634043 -0.211817 1.085702
H -1.378803 -2.262823 -0.841101
H -2.760322 -2.208220 0.285708
H -0.254544 -0.350636 -2.694555
H 0.584384 -1.167882 -1.312732
H -4.869382 -0.818597 -2.459529
H -4.363602 -1.948933 -1.193222
H -4.978085 -0.319387 -0.761791
H -3.746227 2.241868 1.420189
H -2.430293 2.550598 0.276280
H -4.005766 1.912910 -0.302227
H -0.634560 -2.998610 1.374721
H 0.160261 -1.430430 1.075467
H -1.251682 -1.552767 2.189637
H 4.653841 1.468958 1.633342
H 5.309355 -0.039592 0.915154
H 4.424355 1.456258 -1.029548
H 3.436348 -1.286039 1.773518
H 2.826142 0.199523 2.554739


