%chk=000063447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063447

0 1
 O  -0.2510000      -1.904800      0.1832000    
 N   0.3566000      0.3711000      0.1832000    
 N   -1.357600       2.017200      7.1199998E-02
 C    1.757800      5.2000001E-02  0.1630000    
 C   -1.977900     -0.3464000      0.1130000    
 C  -0.5475000     -0.7122000      0.1833000    
 C  -0.1052000       1.689300      0.1597000    
 C    2.431400     -9.2500001E-02  -1.044100    
 C   -2.320200       1.003500      3.5100002E-02
 C    2.425500     -0.1088000       1.371800    
 C   -2.967500      -1.336500      9.8999999E-02
 C    3.791500     -0.4024000      -1.042800    
 C    4.468500     -0.5653000      0.1659000    
 C   -4.310100     -0.9724000      7.4999998E-03
 C   -3.671800       1.355500     -5.7100002E-02
 C    3.785600     -0.4186000       1.373100    
 C   0.8693000       2.840900      0.3004000    
 C    1.731600      7.6499999E-02  -2.353500    
 C   -4.662700      0.3727000     -7.1800001E-02
 C    5.922600     -0.8965000      0.1676000    
 C   -5.368800      -2.022500     -7.7999998E-03
 H    1.902200      3.3000000E-03   2.317600    
 H   -2.701200      -2.389100      0.1546000    
 H    4.328600     -0.5197000      -1.981100    
 H   -3.961800       2.402100     -0.1150000    
 H    4.301200     -0.5448000       2.321500    
 H    1.398100       2.760500       1.254100    
 H   0.3436000       3.799800      0.2696000    
 H    1.599000       2.816200     -0.5131000    
 H    2.410700     -7.4199997E-02  -3.199900    
 H   0.9227000     -0.6543000      -2.455200    
 H    1.320900       1.086800      -2.445800    
 H   -5.705200      0.6706000     -0.1454000    
 H    6.061000      -1.980600      0.1081000    
 H    6.433500     -0.4289000     -0.6809000    
 H    6.412200     -0.5309000       1.076800    
 H   -5.082400      -2.878900      0.6123000    
 H   -6.313900      -1.639800      0.3923000    
 H   -5.538300      -2.370200      -1.031600    


%chk=000063447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063447

0 1
O -0.147997 -1.893561 -0.137808
N 0.333152 0.396275 0.111119
N -1.392733 2.077388 0.224033
C 1.759205 0.084999 0.129414
C -2.001858 -0.324760 0.029807
C -0.580287 -0.710918 -0.010725
C -0.111553 1.737518 0.205571
C 2.448069 -0.173007 -1.085207
C -2.356624 1.055218 0.147615
C 2.428713 0.040155 1.368984
C -3.010009 -1.320974 -0.052270
C 3.833951 -0.452533 -1.006222
C 4.533114 -0.496466 0.226680
C -4.373842 -0.975298 -0.016860
C -3.735266 1.405373 0.181653
C 3.808764 -0.244041 1.419067
C 0.932156 2.826679 0.276971
C 1.722766 -0.174021 -2.415613
C -4.717668 0.408502 0.101608
C 6.012175 -0.838737 0.269423
C -5.462382 -2.029606 -0.101906
H 1.862386 0.217508 2.289966
H -2.691182 -2.365274 -0.143146
H 4.382095 -0.650620 -1.936150
H -3.994972 2.464540 0.270970
H 4.322904 -0.277446 2.386586
H 1.525067 2.766139 1.206899
H 0.411220 3.794181 0.245117
H 1.648043 2.761933 -0.562101
H 2.432828 -0.247636 -3.256193
H 1.032565 -1.036440 -2.471065
H 1.113620 0.738029 -2.557912
H -5.777247 0.691915 0.129521
H 6.161461 -1.934723 0.322056
H 6.539265 -0.480107 -0.632256
H 6.505544 -0.397721 1.153093
H -5.037078 -3.042380 -0.200732
H -6.103416 -2.018598 0.799959
H -6.123947 -1.853787 -0.971148


