%chk=000127944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127944

0 1
 O  -0.1848000      -2.137200     -1.3500000E-02
 N   -4.047700       2.011500       1.126700    
 N  -0.6756000       1.258900     -0.4428000    
 N    4.767400      0.3344000      3.2499999E-02
 N    4.930600       1.626600      0.3590000    
 N    6.901100      0.7089000     -0.1365000    
 N    6.235100       1.848600      0.2542000    
 C   -1.856800       2.027900     -5.3700000E-02
 C   -2.850800       1.201100      0.8109000    
 C   -2.502600       2.695000      -1.276200    
 C   -3.780100       3.428400     -0.8814000    
 C   -4.708600       2.528500     -7.3500000E-02
 C   -3.243700     -0.2161000      0.4002000    
 C  -7.4199997E-02  0.6212000      0.7169000    
 C   -3.576100      -1.150000       1.375900    
 C   -3.266100     -0.5625000     -0.9469000    
 C    1.147000     -0.1780000      0.3473000    
 C   -3.934800      -2.444700       1.000500    
 C   -3.624800      -1.857100      -1.322300    
 C    1.028300      -1.517400      1.0000000E-03
 C    2.386800      0.4477000      0.3613000    
 C   -3.959200      -2.798200     -0.3486000    
 C    3.528100     -0.2791000      2.2900000E-02
 C    2.169700      -2.244300     -0.3374000    
 C    3.419500      -1.625200     -0.3264000    
 C  -0.2043000      -3.514700     -0.3827000    
 C    5.976500     -0.2143000     -0.2674000    
 H   -1.507400       2.857600      0.5811000    
 H   -2.372300       1.087000       1.794200    
 H   -2.717600       1.999800      -2.088900    
 H   -1.801200       3.423700      -1.704100    
 H   -3.523000       4.317200     -0.2911000    
 H   -4.295200       3.784800      -1.780700    
 H   -5.585400       3.107400      0.2379000    
 H   -5.089900       1.709100     -0.6927000    
 H   -3.759100       2.804800       1.700700    
 H  -1.6000000E-03   1.877800     -0.8931000    
 H   0.2125000       1.379200       1.459000    
 H  -0.7373000     -6.7199998E-02   1.245300    
 H   -3.561300     -0.8876000       2.430100    
 H   -3.013200      0.1169000      -1.743400    
 H   -4.194200      -3.177800       1.758600    
 H   -3.641600      -2.134100      -2.372300    
 H    2.443300       1.498400      0.6351000    
 H   -4.237000      -3.806600     -0.6408000    
 H    2.161800      -3.291200     -0.6204000    
 H    4.276000      -2.234100     -0.5979000    
 H   0.1222000      -3.657700      -1.418300    
 H   0.3651000      -4.129600      0.3227000    
 H   -1.241100      -3.856900     -0.3264000    
 H    6.157100      -1.236700     -0.5650000    


%chk=000127944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127944

0 1
O 0.163361 -2.193476 0.406770
N -4.044307 1.897508 1.386656
N -0.655665 0.967850 -0.178812
N 5.010064 0.573386 -0.413805
N 5.000076 1.987684 -0.539292
N 7.134619 1.215634 -0.672879
N 6.285672 2.350053 -0.692899
C -1.860082 1.748053 0.192145
C -2.964445 0.947623 0.984810
C -2.482618 2.407751 -1.059744
C -3.625877 3.367355 -0.650288
C -4.655761 2.630567 0.248385
C -3.581412 -0.284825 0.288987
C 0.203005 0.554169 0.959793
C -4.887215 -0.697267 0.667028
C -2.874687 -1.066500 -0.661654
C 1.437446 -0.177123 0.462241
C -5.476392 -1.852151 0.107918
C -3.469448 -2.218557 -1.227643
C 1.386776 -1.574107 0.161972
C 2.649534 0.508995 0.271718
C -4.770640 -2.619728 -0.848346
C 3.793152 -0.159694 -0.229929
C 2.530554 -2.243357 -0.339356
C 3.730761 -1.532981 -0.545815
C 0.019408 -3.617886 0.088423
C 6.315368 0.150677 -0.498762
H -1.576549 2.580131 0.895028
H -2.507262 0.591337 1.931864
H -2.864152 1.621014 -1.737768
H -1.700181 2.966051 -1.613987
H -3.202384 4.231788 -0.098392
H -4.131021 3.769641 -1.550413
H -5.396788 3.342241 0.656701
H -5.211638 1.895272 -0.364186
H -3.722193 2.536652 2.125926
H -0.104885 1.458618 -0.898939
H 0.519780 1.424951 1.586176
H -0.384230 -0.123366 1.604434
H -5.425602 -0.087389 1.400777
H -1.857458 -0.764908 -0.930610
H -6.485588 -2.150941 0.415425
H -2.913220 -2.802111 -1.972314
H 2.718526 1.575269 0.508649
H -5.228585 -3.512832 -1.289773
H 2.496128 -3.309368 -0.579625
H 4.598304 -2.054530 -0.963752
H 0.216832 -3.808372 -0.983888
H 0.693264 -4.236747 0.711809
H -1.029856 -3.849779 0.319218
H 6.647008 -0.878175 -0.410378


