%chk=000054304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054304

0 1
 O    1.109500      -1.047900       1.545600    
 N    2.861200     -0.1408000     -0.4712000    
 N    4.934600      0.1898000      0.1884000    
 C   -1.889900       2.586900      0.6225000    
 C  -0.9038000       1.466900      0.2962000    
 C   -3.082800       2.538400     -0.3235000    
 C   -1.566900      0.1241000      0.1151000    
 C   -3.844800       1.225200     -0.1551000    
 C   -2.946800      1.3300000E-02 -0.1382000    
 C  -0.7765000      -1.035000      0.1423000    
 C   -3.513300      -1.256900     -0.3231000    
 C   -1.350200      -2.290800     -5.3700000E-02
 C   0.6610000     -0.9839000      0.3852000    
 C   -2.718200      -2.401800     -0.2842000    
 C    1.624900     -0.8523000     -0.7998000    
 C    3.051900       1.195700     -0.5742000    
 C    4.000700     -0.7129000     -1.4000000E-02
 C    4.349400       1.381800     -0.1584000    
 H  -0.1642000       1.429300       1.104000    
 H  -0.3755000       1.715500     -0.6327000    
 H   -2.238700       2.488200       1.658400    
 H   -1.384600       3.556200      0.5446000    
 H   -2.734100       2.637700      -1.359300    
 H   -3.755100       3.381400     -0.1286000    
 H   -4.576000       1.136500     -0.9674000    
 H   -4.401100       1.248500      0.7904000    
 H   -4.581300      -1.359600     -0.4997000    
 H  -0.7409000      -3.190800     -2.7400000E-02
 H   -3.167200      -3.379500     -0.4326000    
 H    1.146100     -0.3066000      -1.619800    
 H    1.898200      -1.853000      -1.150200    
 H    2.290200       1.881900     -0.9169000    
 H    4.105100      -1.775800      0.1563000    
 H    4.891700       2.313600     -9.1300003E-02


%chk=000054304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054304

0 1
O 1.440224 -1.029294 1.690448
N 2.982231 0.175177 -0.343461
N 4.824214 -0.615131 -1.409957
C -2.490799 2.707305 -0.006010
C -1.260202 1.774524 -0.018274
C -3.548936 2.202810 -1.006715
C -1.614256 0.288562 0.109007
C -4.060241 0.819420 -0.558129
C -2.950087 -0.144258 -0.138348
C -0.647294 -0.681450 0.534515
C -3.290992 -1.509792 0.036369
C -1.028397 -2.035271 0.742753
C 0.812132 -0.408064 0.789582
C -2.345864 -2.454121 0.483199
C 1.592147 0.575565 -0.129716
C 4.029322 0.211347 0.588193
C 3.513936 -0.336010 -1.532409
C 5.151731 -0.275304 -0.084646
H -0.572841 2.068398 0.797134
H -0.713111 1.945778 -0.968876
H -2.931936 2.738530 1.010140
H -2.171206 3.736731 -0.253726
H -3.094969 2.134610 -2.015805
H -4.394441 2.911595 -1.078735
H -4.662765 0.350465 -1.359781
H -4.749301 0.954586 0.301554
H -4.320881 -1.827238 -0.171064
H -0.270213 -2.739353 1.099461
H -2.630789 -3.501843 0.623941
H 1.564653 1.581843 0.331194
H 1.098231 0.651079 -1.112843
H 3.874985 0.528778 1.614729
H 2.916759 -0.469344 -2.432147
H 6.161558 -0.407332 0.296123


