%chk=000058649.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058649

0 1
 O  -0.8770000      0.1800000      -1.677300    
 O   -1.443900      -2.267500     -7.5599998E-02
 N   0.8441000      -1.866500      0.2747000    
 N   -3.316700      0.6160000     -0.9656000    
 C  -0.4923000     -6.6999998E-03 -0.3294000    
 C   -1.431300      0.7336000      0.6114000    
 C   0.9526000      0.3700000     -0.1507000    
 C   -2.904400      0.3608000      0.3948000    
 C  -0.4776000      -1.521400     -3.0700000E-02
 C    1.685100     -0.7614000      0.2036000    
 C    1.579600       1.595100     -0.2879000    
 C   -3.806000       1.126600       1.357600    
 C    3.045600     -0.7256000      0.4347000    
 C    2.957900       1.658800     -5.9099998E-02
 C    3.684400      0.5083000      0.2994000    
 H   -1.157000      0.5337000       1.656100    
 H   -1.321200       1.817000      0.4621000    
 H   -3.061500     -0.6988000      0.6145000    
 H    1.161500      -2.799000      0.5116000    
 H    1.025500       2.484800     -0.5661000    
 H   -3.526600      0.9205000       2.396600    
 H   -3.736200       2.208800       1.199600    
 H   -4.855200      0.8350000       1.234400    
 H  -0.1318000     -5.4499999E-02  -2.256400    
 H    3.602800      -1.613700      0.7096000    
 H   -4.309800      0.4142000      -1.075400    
 H   -2.832500     -1.0700000E-02  -1.606200    
 H    3.476300       2.608700     -0.1598000    
 H    4.754700      0.5833000      0.4716000    


%chk=000058649-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058649

0 1
O -0.930114 0.056114 -1.829543
O -1.364203 -2.471378 -0.088863
N 0.849348 -1.873972 0.481405
N -3.477698 1.062826 -0.910632
C -0.473847 -0.103819 -0.437757
C -1.451263 0.709935 0.452380
C 0.976236 0.322073 -0.226137
C -2.957994 0.375354 0.300713
C -0.440667 -1.624251 -0.013475
C 1.708214 -0.751167 0.346814
C 1.609327 1.545246 -0.489182
C -3.733379 0.884395 1.533605
C 3.069018 -0.632450 0.677524
C 2.986041 1.685757 -0.170246
C 3.699792 0.609843 0.409488
H -1.141605 0.560769 1.504676
H -1.316790 1.782734 0.213070
H -3.066981 -0.731675 0.247574
H 1.129646 -2.789703 0.833526
H 1.050299 2.372836 -0.939045
H -3.408282 0.363672 2.453523
H -3.580085 1.971869 1.658827
H -4.819078 0.707862 1.412001
H -0.312363 -0.425029 -2.436910
H 3.630282 -1.460771 1.122753
H -4.480739 0.896100 -1.055548
H -2.923641 0.820471 -1.741669
H 3.499278 2.631683 -0.371633
H 4.760349 0.734077 0.654863


