%chk=000161140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161140

1 1
 S    2.573900       1.468400      -1.312100    
 N    1.334200     -0.4919000     -0.4151000    
 N   -2.453800      0.9550000      0.7689000    
 N   -3.372800     -0.7150000     -0.7053000    
 N  -0.1628000      0.8811000       1.377500    
 C   0.2710000      -1.476600     -0.2037000    
 C    2.520600     -0.5285000      0.2601000    
 C   -1.046500     -0.7975000     -9.2699997E-02
 C    3.347600      0.5025000     -0.1175000    
 C    1.180600      0.4767000      -1.275700    
 C    2.751300      -1.598300       1.242100    
 C   -1.259600      0.3356000      0.6657000    
 C    4.706500      0.8455000      0.3464000    
 C   -2.150400      -1.283200     -0.7632000    
 C   -3.452100      0.3849000      6.7599997E-02
 C   -4.787900       1.041300      0.1569000    
 H   0.4142000      -2.074500      0.6995000    
 H   0.2979000      -2.163700      -1.059400    
 H   0.3193000      0.6368000      -1.909100    
 H    2.075100      -1.507300       2.097700    
 H    2.633300      -2.588300      0.7900000    
 H    3.771400      -1.555100       1.638700    
 H    5.422800      8.5400000E-02  1.7400000E-02
 H    5.050300       1.814300     -3.0700000E-02
 H    4.737800      0.8903000       1.440200    
 H   -2.093200      -2.170000      -1.386600    
 H   0.4654000      0.2310000       1.833600    
 H  -0.3570000       1.736700       1.885500    
 H   -4.691200       2.089900      0.4552000    
 H   -5.297300       1.009800     -0.8112000    
 H   -5.405400      0.5233000      0.8965000    


%chk=000161140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000161140

1 1
S 2.670780 1.780134 -0.974027
N 1.410363 -0.184364 0.132519
N -3.020538 0.899703 0.825651
N -3.114006 -0.691965 -1.011688
N -1.173458 1.131992 2.211506
C 0.280225 -1.062831 0.669288
C 2.778264 -0.572603 0.225942
C -1.094477 -0.538474 0.373124
C 3.627808 0.376254 -0.324751
C 1.191282 1.003367 -0.459963
C 3.167375 -1.889127 0.837258
C -1.750456 0.481953 1.142722
C 5.120894 0.353784 -0.466877
C -1.858988 -1.089675 -0.687201
C -3.653293 0.314192 -0.230063
C -5.042286 0.771781 -0.569014
H 0.472184 -1.177645 1.753127
H 0.420384 -2.053663 0.202297
H 0.200828 1.424333 -0.611293
H 2.748026 -2.019909 1.850699
H 2.830836 -2.741363 0.218105
H 4.261957 -1.960173 0.919753
H 5.426984 -0.181447 -1.385061
H 5.544774 1.370178 -0.518675
H 5.590858 -0.153823 0.392505
H -1.438169 -1.897603 -1.302285
H -0.297944 0.842322 2.639702
H -1.757889 1.811164 2.701734
H -5.338581 1.620508 0.062961
H -5.103505 1.050901 -1.635439
H -5.757028 -0.059301 -0.425356


