%chk=000147949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147949

0 1
 O    3.426300     -0.4145000      0.7367000    
 N    4.102200       2.122900     -0.2742000    
 N   -1.242900      0.6687000      0.5483000    
 N   -1.706300      0.1353000     -0.4872000    
 C    3.402400      -1.656400      3.6300000E-02
 C    4.825200      -2.180300     -8.4399998E-02
 C    2.444800      0.4830000      0.4388000    
 C    2.757800       1.746100     -6.3500002E-02
 C    1.112400      0.1242000      0.6427000    
 C   9.9699996E-02   1.030100      0.3431000    
 C    1.738500       2.650400     -0.3619000    
 C    4.879800      -3.498400     -0.8355000    
 C   0.4062000       2.291500     -0.1581000    
 C   -3.041900     -0.2247000     -0.2834000    
 C   -4.061200      0.6794000     -0.5821000    
 C   -3.355000      -1.487900      0.2185000    
 C   -5.393700      0.3204000     -0.3788000    
 C   -4.687400      -1.847000      0.4216000    
 C   -5.706800     -0.9428000      0.1230000    
 H    2.970900      -1.529300     -0.9652000    
 H    2.784200      -2.366700      0.5972000    
 H    5.448800      -1.436000     -0.5942000    
 H    5.258500      -2.302300      0.9155000    
 H   0.8613000     -0.8551000       1.042800    
 H    1.968900       3.637900     -0.7536000    
 H    4.489100      -3.387500      -1.852000    
 H    5.913100      -3.852300     -0.9058000    
 H    4.291800      -4.266400     -0.3230000    
 H  -0.3819000       3.002100     -0.3924000    
 H    4.845600       1.469600     -6.4999998E-02
 H    4.321300       3.039300     -0.6412000    
 H   -3.827400       1.665800     -0.9743000    
 H   -2.567900      -2.199600      0.4535000    
 H   -6.187500       1.024200     -0.6114000    
 H   -4.931300      -2.830600      0.8122000    
 H   -6.744200      -1.222400      0.2813000    


%chk=000147949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147949

0 1
O 3.625738 -0.172228 -0.228065
N 4.322160 2.214074 0.695991
N -1.187731 0.988375 0.526044
N -1.537875 -0.197922 0.074856
C 3.305203 -1.513072 -0.752962
C 4.627848 -2.197419 -1.104084
C 2.548396 0.646773 0.165742
C 2.967447 1.934516 0.661334
C 1.199080 0.298897 0.104968
C 0.207040 1.234399 0.541008
C 1.970820 2.852383 1.089024
C 4.398396 -3.617740 -1.666772
C 0.610014 2.505667 1.028846
C -2.951412 -0.430504 0.065803
C -3.354784 -1.706081 -0.412809
C -3.938354 0.505709 0.491496
C -4.722606 -2.046832 -0.467410
C -5.301046 0.157926 0.433585
C -5.701377 -1.116467 -0.044647
H 2.657026 -1.409694 -1.647704
H 2.750569 -2.084746 0.019713
H 5.167760 -1.576947 -1.843934
H 5.259502 -2.244547 -0.197072
H 0.851710 -0.669774 -0.264975
H 2.274734 3.835190 1.467244
H 3.789808 -3.592584 -2.589949
H 5.360513 -4.100709 -1.912233
H 3.876123 -4.261375 -0.934491
H -0.167771 3.202907 1.355474
H 4.975609 1.504018 0.372809
H 4.667907 3.105827 1.037100
H -2.576780 -2.407089 -0.733866
H -3.609196 1.483129 0.857260
H -5.025821 -3.032574 -0.837685
H -6.060580 0.877709 0.760678
H -6.764671 -1.378496 -0.086017


