%chk=000072488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072488

0 1
 O    2.438300       2.253900       1.467300    
 N  -0.5551000      -1.413000     -8.9000002E-02
 N    2.500300       2.503200     -0.8385000    
 N    3.344300       3.595000     -0.7737000    
 C    1.703500     -0.5880000      6.9799997E-02
 C    1.211300      0.7187000      0.1888000    
 C   0.7723000      -1.638400     -6.8999998E-02
 C  -0.9891000     -0.1372000      2.8700000E-02
 C  -0.1559000      0.9540000      0.1685000    
 C   -2.423700      2.0900000E-02 -1.7000000E-03
 C    3.082100     -0.8596000      8.6900003E-02
 C    1.261800      -2.936300     -0.1870000    
 C    2.085600       1.878300      0.3375000    
 C    3.543900      -2.167200     -3.3100002E-02
 C    2.632300      -3.206600     -0.1702000    
 C   -3.081000      0.2218000      -1.217400    
 C   -3.159000     -2.6600000E-02   1.184400    
 C   -4.467200      0.3746000      -1.246800    
 C   -4.545300      0.1260000       1.155200    
 C   -5.199300      0.3266000     -6.0500000E-02
 H  -0.5531000       1.960800      0.2599000    
 H    3.819400     -6.7900002E-02  0.1939000    
 H   0.5681000      -3.768200     -0.2954000    
 H    4.609700      -2.373400     -1.9300001E-02
 H    2.983800      -4.230000     -0.2643000    
 H   -2.525500      0.2613000      -2.151500    
 H   -2.665000     -0.1828000       2.140600    
 H   -4.976600      0.5307000      -2.193200    
 H   -5.115600      8.8500001E-02   2.078700    
 H   -6.278700      0.4455000     -8.3300002E-02
 H    2.208400       2.177900      -1.755000    
 H    4.177600       3.355800      -1.309600    
 H    2.888900       4.350600      -1.284000    


%chk=000072488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072488

0 1
O 3.389301 1.677227 1.108676
N -0.497505 -1.465881 -0.357269
N 2.024674 2.945574 -0.276153
N 2.784428 4.135699 -0.125095
C 1.871030 -0.727300 -0.090933
C 1.396709 0.619637 0.122875
C 0.859875 -1.737530 -0.347090
C -0.919720 -0.200819 -0.119120
C 0.019087 0.865095 0.114053
C -2.393916 0.036647 -0.121357
C 3.250793 -1.111418 -0.084613
C 1.265258 -3.088181 -0.598639
C 2.357651 1.756866 0.373009
C 3.613617 -2.438287 -0.332929
C 2.617999 -3.432675 -0.593590
C -3.262030 -0.992982 -0.579694
C -2.969309 1.257837 0.326039
C -4.657877 -0.805017 -0.598475
C -4.368188 1.444783 0.309501
C -5.219657 0.416545 -0.155400
H -0.348545 1.876162 0.308666
H 4.009602 -0.358928 0.145050
H 0.478055 -3.823950 -0.788334
H 4.671197 -2.723584 -0.320990
H 2.922799 -4.467372 -0.785061
H -2.810029 -1.932109 -0.911680
H -2.339009 2.066823 0.710491
H -5.309973 -1.608935 -0.957757
H -4.793504 2.390172 0.664297
H -6.305326 0.563644 -0.168771
H 1.262611 2.989711 -0.954543
H 3.748956 3.992771 -0.459770
H 2.792448 4.428674 0.862307


