%chk=000154357.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154357

0 1
 O   -1.537500      0.7625000      -1.921700    
 N   -1.995000       1.007000      0.3384000    
 N   -5.659400      0.3834000      0.1043000    
 N  -0.2934000      -1.846800     -0.3143000    
 C    2.940400     -5.7000000E-02  0.1616000    
 C    1.996300      -1.141400      7.7699997E-02
 C   0.2408000      0.4297000     -0.4300000    
 C    2.485800       1.265600     -5.9599999E-02
 C   0.6386000     -0.8804000     -0.2213000    
 C    1.140300       1.490400     -0.3527000    
 C   -3.399800       1.314000      0.1928000    
 C   -4.246100      4.9800001E-02  0.2237000    
 C   -1.149200      0.7490000     -0.7432000    
 C    4.317900     -0.2176000      0.4550000    
 C    2.326700      -2.501500      0.2778000    
 C    3.375800       2.351100      1.3400000E-02
 C    5.193700      0.8691000      0.5251000    
 C    4.722300       2.154300      0.3041000    
 C    1.370300      -3.505000      0.1836000    
 C   -6.071400       1.280300       1.186100    
 C   -6.479100     -0.8299000      0.1120000    
 C   8.2199998E-02  -3.126400     -0.1131000    
 H   0.7832000       2.505300     -0.5247000    
 H   -3.616600       1.987800       1.026000    
 H   -3.550200       1.863100     -0.7437000    
 H   -3.945500     -0.5975000     -0.6104000    
 H   -4.043000     -0.5120000       1.145800    
 H   -1.613700      0.9638000       1.279500    
 H    4.741700      -1.201900      0.6369000    
 H    3.342800      -2.806600      0.5125000    
 H    3.024400       3.367100     -0.1570000    
 H    6.243000      0.7053000      0.7526000    
 H    5.398700       3.001800      0.3574000    
 H    1.631700      -4.545100      0.3383000    
 H   -5.776000      0.9098000       2.174500    
 H   -7.162400       1.396400       1.189400    
 H   -5.684600       2.294200       1.046200    
 H   -6.385000      -1.386400       1.051700    
 H   -6.192600      -1.492700     -0.7121000    
 H   -7.535700     -0.5826000     -3.9500002E-02
 H  -0.7110000      -3.861000     -0.2007000    


%chk=000154357-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154357

0 1
O -1.545974 2.174082 -0.244157
N -2.103100 0.270901 0.983873
N -5.762578 0.658010 -0.003867
N -0.138123 -1.481007 1.528071
C 3.058812 -0.072689 0.035362
C 2.148309 -0.969476 0.745172
C 0.230850 0.591467 0.266496
C 2.518914 1.132690 -0.539084
C 0.742447 -0.641081 0.859214
C 1.117665 1.423129 -0.402184
C -3.517478 0.640185 1.116420
C -4.328238 0.335886 -0.171186
C -1.214209 1.072299 0.313621
C 4.455291 -0.330189 -0.117067
C 2.585871 -2.186046 1.349610
C 3.380876 2.032948 -1.239654
C 5.283817 0.565546 -0.807798
C 4.745763 1.757243 -1.374725
C 1.680663 -3.017365 2.020104
C -6.507335 -0.368801 0.749256
C -6.431628 1.005680 -1.272953
C 0.318121 -2.621543 2.083703
H 0.702001 2.341018 -0.835392
H -3.934584 0.091730 1.980047
H -3.598961 1.722599 1.317491
H -3.913005 0.968990 -0.974851
H -4.165358 -0.732185 -0.467607
H -1.699964 -0.605115 1.382536
H 4.901044 -1.235912 0.305902
H 3.638283 -2.478573 1.293303
H 2.951376 2.945118 -1.668880
H 6.352352 0.348477 -0.912620
H 5.400953 2.450798 -1.912046
H 2.003853 -3.951761 2.487670
H -6.562955 -1.352419 0.213680
H -7.540007 -0.020593 0.932160
H -6.035756 -0.544578 1.731874
H -6.487350 0.153646 -1.998451
H -5.893224 1.836824 -1.760787
H -7.464621 1.342217 -1.067719
H -0.423415 -3.243151 2.597864


