%chk=000163537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163537

0 1
 O    3.450300       1.266300      0.3154000    
 N   -3.392700      0.4760000     -0.1815000    
 N    1.255600      0.6463000      0.4227000    
 N    2.924800     -0.8052000     -0.4868000    
 C   -1.180600      0.4737000      0.1087000    
 C   -2.303500     -0.3483000     -9.8999999E-03
 C   8.1299998E-02 -0.1248000      0.2951000    
 C   -1.634300       1.818300      2.4999999E-03
 C   -2.998300       1.787100     -0.1750000    
 C   -2.226900      -1.744400      4.8900001E-02
 C   0.1730000      -1.520100      0.3561000    
 C    2.521300      0.3014000      5.6000002E-02
 C  -0.9647000      -2.315500      0.2347000    
 C   -4.761800      3.7099998E-02 -0.3459000    
 C    4.701500      0.6395000      8.2300000E-02
 C    4.354800     -0.5875000     -0.7236000    
 H   -1.032300       2.715400      4.9899999E-02
 H   -3.712400       2.590600     -0.2966000    
 H   -3.109000      -2.369300     -4.2300001E-02
 H    1.087800       1.633400      0.5948000    
 H    1.112400      -2.030000      0.5454000    
 H  -0.8728000      -3.397000      0.2956000    
 H    5.153900      0.3856000       1.046700    
 H    5.371600       1.314400     -0.4579000    
 H    4.523400     -0.4201000      -1.793100    
 H    4.950000      -1.452500     -0.4161000    
 H   -5.052100     -0.5272000      0.5439000    
 H   -5.414800      0.9058000     -0.4625000    
 H   -4.817800     -0.5903000      -1.239000    


%chk=000163537-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163537

0 1
O 3.427617 1.396250 0.006993
N -3.481222 0.496055 -0.025028
N 1.233930 0.643798 -0.024952
N 3.094834 -0.928553 -0.103291
C -1.191813 0.451781 -0.030236
C -2.372965 -0.364078 -0.068115
C 0.085592 -0.186701 -0.063411
C -1.626256 1.832029 0.037518
C -3.020960 1.818850 0.038459
C -2.325937 -1.776741 -0.137356
C 0.148652 -1.595816 -0.132332
C 2.555647 0.262565 -0.045508
C -1.047358 -2.366918 -0.168090
C -4.878364 0.063533 -0.046339
C 4.807824 0.819899 -0.015369
C 4.577325 -0.732120 -0.099154
H -1.014651 2.732935 0.080450
H -3.723470 2.649877 0.079530
H -3.233736 -2.387607 -0.165816
H 1.082416 1.651599 0.023565
H 1.127615 -2.080443 -0.157812
H -0.961035 -3.458033 -0.221395
H 5.315121 1.138779 0.910155
H 5.326421 1.235836 -0.894757
H 5.010862 -1.163196 -1.019629
H 5.019536 -1.260521 0.764570
H -5.103018 -0.592223 0.815298
H -5.536006 0.945757 0.007392
H -5.108902 -0.487893 -0.976838


