%chk=000030184.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030184

0 1
 S    1.228300       1.564400     -0.3477000    
 N    4.653500     -0.6008000     -7.5000003E-02
 N   -1.389300       1.519800      0.2654000    
 N  -0.6578000     -0.3916000     -0.6015000    
 C    3.783200      0.5614000     -0.2262000    
 C    2.324200      0.1272000     -0.1604000    
 C   -2.482300      0.6923000      0.2292000    
 C   -1.999900     -0.4944000     -0.3159000    
 C  -0.3246000      0.8274000     -0.2408000    
 C    4.390800      -1.277500       1.195500    
 C    6.059600     -0.2042000     -0.1593000    
 C   -3.810800      0.8744000      0.6148000    
 C   -2.881300      -1.574100     -0.4943000    
 C   -4.674100     -0.2106000      0.4303000    
 C   -4.219600      -1.413900     -0.1143000    
 H    3.975100       1.031100      -1.199700    
 H    3.994900       1.311200      0.5485000    
 H    2.064200     -0.3158000      0.8047000    
 H    2.104500     -0.5997000     -0.9503000    
 H   -1.372600       2.471800      0.6057000    
 H    3.446800      -1.830600       1.177600    
 H    4.395000     -0.5889000       2.048400    
 H    5.155600      -2.041000       1.385200    
 H    6.712100      -1.082800     -0.1065000    
 H    6.343700      0.4861000      0.6434000    
 H    6.266400      0.2801000      -1.120300    
 H   -4.161000       1.809300       1.037100    
 H   -2.537900      -2.513100     -0.9164000    
 H   -5.718600     -0.1145000      0.7164000    
 H   -4.914600      -2.239300     -0.2455000    


%chk=000030184-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030184

0 1
S 1.285930 2.146852 -1.415502
N 4.161337 -0.500686 0.057134
N -1.325802 1.760558 -0.509878
N -0.034509 -0.122190 -0.395421
C 3.282658 0.690026 0.040015
C 2.636405 0.807182 -1.354053
C -2.168172 0.757617 0.006157
C -1.340317 -0.415842 0.072072
C -0.071459 1.175809 -0.729859
C 3.440984 -1.748609 0.387164
C 5.404320 -0.339340 0.832562
C -3.517686 0.757080 0.407807
C -1.877064 -1.628865 0.556372
C -4.035906 -0.466887 0.889046
C -3.229424 -1.638672 0.961873
H 3.886923 1.592829 0.243371
H 2.484970 0.640133 0.815955
H 2.140057 -0.130430 -1.645903
H 3.369384 1.100217 -2.122036
H -1.572638 2.731358 -0.693421
H 2.497364 -1.802642 -0.181297
H 3.181567 -1.820507 1.473145
H 4.063359 -2.622612 0.121900
H 6.058219 -1.215313 0.666555
H 5.236282 -0.245956 1.935701
H 5.949156 0.558450 0.490426
H -4.144580 1.653311 0.354641
H -1.255133 -2.527599 0.610016
H -5.081362 -0.514894 1.212833
H -3.671361 -2.566678 1.340725


