%chk=000041376.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041376

0 1
 S    3.208800      0.7388000     -2.7100001E-02
 N    3.188600      -2.411900     -0.3097000    
 N   -3.921500      0.1265000      0.5594000    
 N   0.8787000      -2.505400      0.1200000    
 N   0.1260000       4.013700       1.002700    
 N  -4.3200001E-02   1.812400      0.7634000    
 N   -4.985200     -0.3638000      -1.327400    
 N    2.500200      -3.568600       1.528900    
 C   -1.541700      -2.573100      0.4247000    
 C   -1.698300      -1.049900      0.3444000    
 C  -0.1871000      -2.989600      0.9874000    
 C   -3.066700     -0.6619000     -0.1581000    
 C    3.107200      -1.613100      -1.509200    
 C    3.875200     -0.3058000      -1.359200    
 C    1.755700       1.370400     -0.8957000    
 C   0.9626000       2.297700     -3.4299999E-02
 C    1.086300       3.660900      9.6799999E-02
 C    2.099100      -2.818800      0.4426000    
 C   -3.745400     -0.9522000      -1.318200    
 C    1.986900       4.644800     -0.5237000    
 C   -5.059900      0.2777000     -0.1825000    
 C  -0.5262000       2.871200       1.374700    
 H   -2.333600      -2.992900       1.057600    
 H   -1.669600      -3.011000     -0.5736000    
 H   -1.525400     -0.6078000       1.332900    
 H  -0.9538000     -0.6278000     -0.3396000    
 H  -7.6300003E-02  -2.581800       1.999500    
 H  -0.1641000      -4.084200       1.049700    
 H    3.561900      -2.187500      -2.324900    
 H    2.073100      -1.429300      -1.818600    
 H    4.920600     -0.5188000      -1.109500    
 H    3.876900      0.2532000      -2.300500    
 H    2.074700       1.893000      -1.803800    
 H    1.113300      0.5381000      -1.197600    
 H    4.118800      -2.694500     -1.3700000E-02
 H   -3.747000      0.5269000       1.471600    
 H   -3.405800      -1.553500      -2.149300    
 H  -6.9899999E-02   4.947400       1.338500    
 H    1.834900       4.672600      -1.607500    
 H    1.818700       5.654400     -0.1351000    
 H    3.032500       4.382900     -0.3326000    
 H   -5.898600      0.8635000      0.1657000    
 H   -1.338000       2.879000       2.088000    
 H    3.481600      -3.760800       1.698500    
 H    1.839800      -3.951100       2.196100    


%chk=000041376-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041376

0 1
S 2.720996 0.973989 0.023705
N 3.211517 -2.340688 -0.289503
N -2.847810 0.486029 -0.006912
N 0.983930 -3.112983 -0.135894
N -0.093664 4.555016 0.829565
N -0.817288 2.481887 0.366112
N -4.904451 -0.317415 -0.532739
N 2.656673 -3.688087 1.537978
C -1.459251 -3.089931 0.223480
C -1.514233 -1.597380 0.612736
C -0.114936 -3.733647 0.626689
C -2.772719 -0.905239 0.155795
C 2.937004 -1.504577 -1.456628
C 3.519102 -0.082807 -1.329445
C 1.160560 1.553746 -0.928488
C 0.472787 2.653655 -0.182217
C 0.941910 3.946115 0.101547
C 2.195766 -3.063899 0.360233
C -4.052473 -1.378163 -0.174139
C 2.227370 4.639955 -0.240975
C -4.138664 0.790351 -0.419079
C -1.130618 3.645264 0.966614
H -2.289112 -3.641492 0.708467
H -1.586303 -3.190113 -0.870323
H -1.405345 -1.510592 1.715561
H -0.623819 -1.101237 0.178802
H 0.008181 -3.629051 1.735178
H -0.164268 -4.822858 0.406239
H 3.352061 -1.965452 -2.381067
H 1.840309 -1.490340 -1.577422
H 4.592261 -0.110993 -1.066986
H 3.417392 0.462299 -2.287123
H 1.509663 1.883179 -1.922873
H 0.478471 0.697336 -1.044771
H 4.169326 -2.660471 -0.140835
H -2.065551 1.169745 0.142696
H -4.409268 -2.406006 -0.184075
H -0.074674 5.504822 1.199433
H 2.099298 5.375505 -1.058203
H 2.652980 5.171935 0.630378
H 2.970032 3.890801 -0.561239
H -4.472757 1.804013 -0.630296
H -2.058097 3.860524 1.490655
H 3.401010 -3.254434 2.081779
H 2.041503 -4.338311 2.019293


