%chk=000142679.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000142679

0 1
 O   -2.431600     -0.2651000     -5.0000002E-04
 N    1.921300       1.672500      6.5200001E-02
 N  -0.3992000       1.048500      3.8400002E-02
 C    1.079500     -0.6922000      1.0800000E-02
 C  -0.2458000      -1.227400     -8.1000002E-03
 C   0.8981000      0.7695000      4.0399998E-02
 C   -1.067000     -0.1773000      9.2000002E-03
 C    1.922800      -1.725100     -5.5000000E-03
 C  -0.2015000      -2.650700     -3.7200000E-02
 C    1.115200      -2.951100     -3.5599999E-02
 C    3.301100       1.230200      6.3900001E-02
 C    1.672700       3.082100     -0.1600000    
 C   -3.030000       1.021000      2.3000000E-02
 C   -4.535500      0.8650000     -4.0000002E-03
 H    2.999400      -1.709100      1.9999999E-04
 H   -1.034100      -3.331300     -5.6200001E-02
 H    1.540400      -3.942300     -5.3500000E-02
 H    3.540900      0.7061000     -0.8672000    
 H    3.502900      0.5736000      0.9165000    
 H    3.996400       2.072800      0.1484000    
 H   0.7453000       3.407700      0.3233000    
 H    1.594800       3.285000      -1.233000    
 H    2.476600       3.702900      0.2499000    
 H   -2.753200       1.559700      0.9383000    
 H   -2.728400       1.605400     -0.8558000    
 H   -5.030700       1.840000      1.3200000E-02
 H   -4.851500      0.3244000     -0.9024000    
 H   -4.878300      0.2799000      0.8559000    


%chk=000142679-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000142679

0 1
O -2.435074 -0.125980 0.006349
N 1.959247 1.648433 -0.054392
N -0.384786 1.108924 -0.026971
C 1.121578 -0.724377 -0.015005
C -0.221383 -1.244271 0.002929
C 0.976427 0.711353 -0.033180
C -1.075631 -0.078411 -0.005479
C 2.027646 -1.837962 -0.006435
C -0.161114 -2.664254 0.022273
C 1.231011 -3.023989 0.016280
C 3.365298 1.211769 -0.061626
C 1.654784 3.089827 -0.067496
C -3.160603 1.184703 -0.004836
C -4.648592 0.855298 0.018633
H 3.119717 -1.812845 -0.014579
H -1.002877 -3.359087 0.038891
H 1.618888 -4.044673 0.027645
H 3.571562 0.578132 -0.944547
H 3.595895 0.622253 0.845690
H 4.022173 2.094635 -0.092402
H 0.561023 3.204356 -0.058364
H 2.071039 3.564157 -0.976116
H 2.088112 3.584061 0.822358
H -2.834041 1.764045 0.877097
H -2.856411 1.735985 -0.912446
H -5.237754 1.790614 0.009167
H -4.933300 0.255343 -0.862518
H -4.912235 0.286661 0.926682