%chk=000021730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021730

0 1
 S    3.564900       2.466000     -0.5520000    
 N   -3.591300       1.071600     -0.1247000    
 N   0.9021000      -2.766200      7.4400000E-02
 C   -1.583500     -0.1777000      0.7499000    
 C   -2.451300      0.2262000     -0.4988000    
 C  -0.4026000      -1.006500      0.4328000    
 C   0.8985000     -0.5354000      0.1012000    
 C   -2.495900     -0.8479000       1.816300    
 C   -2.988200      -1.005400      -1.237300    
 C  -0.3689000      -2.381800      0.4080000    
 C    1.697700      -1.659400     -0.1187000    
 C   -4.321700       1.492700      -1.317400    
 C   -3.133000       2.231600      0.6354000    
 C    1.474900      0.7433000     -3.3000000E-02
 C    3.049800      -1.568000     -0.4678000    
 C    2.826200      0.8499000     -0.3818000    
 C    3.599700     -0.2893000     -0.5953000    
 C    3.322700       3.156300       1.108600    
 H   -1.184600      0.7312000       1.217300    
 H   -1.789600      0.7659000      -1.192400    
 H   -2.952100      -1.774400       1.453000    
 H   -1.906900      -1.106200       2.704900    
 H   -3.302500     -0.1914000       2.153900    
 H   -3.780700      -1.515300     -0.6791000    
 H   -3.384200     -0.7495000      -2.226000    
 H   -2.201500      -1.736200      -1.441600    
 H   -1.127600      -3.129300      0.5933000    
 H    1.212200      -3.723700     -1.7500000E-02
 H   0.8642000       1.628200      0.1258000    
 H   -4.881200      0.6694000      -1.772000    
 H   -3.670300       1.948500      -2.072000    
 H   -5.087900       2.232800      -1.054900    
 H   -3.960100       2.936500      0.7875000    
 H   -2.331300       2.776500      0.1230000    
 H   -2.805200       1.979300       1.647400    
 H    3.652600      -2.454600     -0.6341000    
 H    4.650300     -0.2039000     -0.8658000    
 H    3.824100       4.125700       1.169500    
 H    3.753200       2.492400       1.863300    
 H    2.259700       3.303000       1.316700    


%chk=000021730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021730

0 1
S 3.070323 2.752712 -0.751878
N -3.553695 1.145712 -0.125110
N 1.025878 -2.807543 0.321157
C -1.806804 -0.382498 0.882042
C -2.438823 0.196735 -0.442674
C -0.524820 -1.138594 0.593279
C 0.744095 -0.547561 0.187490
C -2.834994 -1.202769 1.692364
C -2.913384 -0.941446 -1.372836
C -0.305358 -2.514885 0.665427
C 1.695202 -1.617645 0.023714
C -4.310126 1.583801 -1.321513
C -3.104811 2.324794 0.651385
C 1.172062 0.788742 -0.036976
C 3.033437 -1.388550 -0.367088
C 2.507154 1.022356 -0.418096
C 3.428335 -0.054962 -0.590884
C 3.865150 3.152083 0.920344
H -1.515025 0.488664 1.503040
H -1.619196 0.750598 -0.974070
H -3.111741 -2.138867 1.173189
H -2.431034 -1.470596 2.685611
H -3.757354 -0.611459 1.823347
H -3.849660 -1.391845 -0.996888
H -3.086129 -0.587244 -2.403354
H -2.138849 -1.726282 -1.418480
H -0.992600 -3.309770 0.947582
H 1.438297 -3.737291 0.306644
H 0.485285 1.633303 0.081996
H -4.796876 0.725352 -1.810031
H -3.675064 2.105083 -2.083055
H -5.105091 2.283322 -1.006586
H -3.953516 3.020316 0.774541
H -2.269927 2.884600 0.155658
H -2.770845 2.034927 1.661775
H 3.745260 -2.210671 -0.500816
H 4.450487 0.168787 -0.913545
H 4.263208 4.176493 0.840601
H 4.684316 2.445657 1.125058
H 3.107934 3.101343 1.717636


