%chk=000045402.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045402

0 1
 S    2.275500      0.6249000       1.386200    
 N   -1.024000     -0.1964000     -0.1519000    
 N    1.484800      -2.966500      0.2353000    
 C   -2.194600      -1.046700      0.1056000    
 C   -1.180100       1.125500      0.4711000    
 C   0.1957000     -0.8467000      0.3266000    
 C   -3.473200     -0.4029000     -0.4329000    
 C   -2.425500       1.840300     -5.5599999E-02
 C   -3.677100      0.9932000      0.1443000    
 C   0.3250000      -2.250900     -0.2926000    
 C    1.407300      3.4499999E-02  5.9599999E-02
 C    1.888400      0.4150000      -1.144900    
 C    3.038600       1.241000     -0.9882000    
 C    3.359100       1.435800      0.3373000    
 H   -2.306900      -1.260400       1.176400    
 H   -2.145200      -1.997600     -0.4293000    
 H  -0.3438000       1.793200      0.2420000    
 H   -1.244500       1.039700       1.564200    
 H   0.1015000     -0.9919000       1.414800    
 H   -4.337100      -1.031900     -0.1892000    
 H   -3.422000     -0.3402000      -1.527600    
 H   -2.299600       2.060100      -1.123500    
 H   -2.545900       2.801700      0.4565000    
 H   -4.538000       1.475400     -0.3314000    
 H   -3.900400      0.9173000       1.215600    
 H  -0.5119000      -2.906100     -4.6399999E-02
 H   0.4006000      -2.204100      -1.385200    
 H    1.462800      0.1353000      -2.099800    
 H    1.446900      -2.978500       1.253900    
 H    2.341100      -2.471700     -9.6000005E-03
 H    3.602200       1.670700      -1.806200    
 H    4.177700       2.015800      0.7398000    


%chk=000045402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045402

0 1
S 2.686645 0.350785 1.345748
N -1.053996 -0.190800 -0.046778
N 1.661259 -2.940670 0.303480
C -2.268500 -1.049483 0.033376
C -1.298005 1.124170 0.615075
C 0.188557 -0.834146 0.487359
C -3.485008 -0.358400 -0.619793
C -2.476099 1.876401 -0.032200
C -3.760934 1.021489 0.014953
C 0.402970 -2.293150 -0.079272
C 1.385702 0.022385 0.127676
C 1.709409 0.599613 -1.092611
C 2.968719 1.307213 -1.095708
C 3.625765 1.275284 0.123974
H -2.515036 -1.299276 1.100532
H -2.079969 -1.998184 -0.495184
H -0.376199 1.725569 0.538506
H -1.511483 0.978155 1.707890
H 0.140119 -0.930245 1.607087
H -4.367621 -1.020301 -0.524801
H -3.277964 -0.230793 -1.700351
H -2.219113 2.104646 -1.084919
H -2.625398 2.839904 0.492328
H -4.592234 1.530884 -0.508401
H -4.075784 0.887463 1.070919
H -0.419162 -2.943168 0.267703
H 0.343833 -2.235514 -1.182329
H 1.040117 0.531879 -1.953335
H 1.731896 -3.195204 1.292849
H 2.503551 -2.464731 -0.033150
H 3.370110 1.821802 -1.972524
H 4.581253 1.713324 0.406800


