%chk=000046936.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046936

1 1
 N   -1.392700      0.4937000     -6.5499999E-02
 N   -1.097700      -2.930700     -3.4499999E-02
 C  -0.4408000     -0.4704000      0.6278000    
 C   -1.282000      0.3192000      -1.573300    
 C   -2.820000      0.2026000      0.3753000    
 C   -1.028100       1.923300      0.3080000    
 C    1.012500     -0.1675000      0.3418000    
 C   -2.230100       1.279800      -2.257100    
 C   -2.923800      0.3777000       1.874700    
 C  -0.8078000      -1.845100      0.2559000    
 C    1.681900      0.7492000       1.135000    
 C    1.645100     -0.8133000     -0.7073000    
 C    3.022800       1.028600      0.8714000    
 C    2.986000     -0.5341000     -0.9708000    
 C    3.674900      0.3870000     -0.1814000    
 H  -0.5631000     -0.3623000       1.710300    
 H  -0.2619000      0.5518000      -1.889700    
 H   -1.534900     -0.7081000      -1.852000    
 H   -3.488700      0.9354000     -8.5100003E-02
 H   -3.122700     -0.7966000      4.6900000E-02
 H  -0.1758000       2.255200     -0.2931000    
 H   -1.882800       2.579100      0.1126000    
 H  -0.7890000       1.986700       1.372000    
 H   -2.062600       1.212200      -3.339600    
 H   -3.283300       1.024100      -2.114800    
 H   -2.072500       2.329500      -2.000000    
 H   -3.984400      0.3101000       2.149600    
 H   -2.437600     -0.4201000       2.441700    
 H   -2.588200       1.347000       2.248300    
 H    1.204200       1.237500       1.978300    
 H    1.141600      -1.524300      -1.354600    
 H    3.561200       1.740500       1.490200    
 H    3.493400      -1.030900      -1.792600    
 H    4.719200      0.6038000     -0.3862000    


%chk=000046936-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046936

1 1
N -1.434686 0.579284 -0.037523
N -1.115434 -2.920954 0.203049
C -0.380563 -0.403054 0.678544
C -1.337975 0.393615 -1.578756
C -2.877753 0.231158 0.432860
C -1.087250 2.013060 0.338362
C 1.075506 -0.137182 0.320310
C -2.266564 1.289050 -2.408217
C -3.106583 0.248897 1.948721
C -0.796216 -1.789214 0.398891
C 1.838993 0.722746 1.154031
C 1.701144 -0.779395 -0.781454
C 3.198408 0.968296 0.867570
C 3.061023 -0.533314 -1.063607
C 3.809696 0.345445 -0.245782
H -0.535909 -0.199957 1.753110
H -0.283602 0.586476 -1.834911
H -1.554819 -0.672002 -1.768479
H -3.528576 0.970074 -0.061315
H -3.103116 -0.763792 0.013508
H -0.124008 2.284465 -0.115518
H -1.880778 2.678545 -0.029655
H -1.015911 2.102149 1.431831
H -2.069238 1.065011 -3.471615
H -3.337107 1.089936 -2.237141
H -2.070075 2.365230 -2.270355
H -4.181639 0.061502 2.118766
H -2.565942 -0.550320 2.482435
H -2.877849 1.222608 2.413224
H 1.383624 1.183899 2.039548
H 1.145149 -1.496982 -1.396531
H 3.782480 1.626384 1.518173
H 3.540632 -1.038094 -1.907853
H 4.867236 0.527028 -0.462023


