%chk=000176850.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176850

0 1
 O    1.057900       1.098600     -0.3776000    
 O    3.010500       1.957000      0.4740000    
 O   -3.936600     -0.2042000      0.3056000    
 N    2.979700      1.8300001E-02 -0.7998000    
 N   0.6615000       2.156000       2.829500    
 C    4.794800      -1.120000      0.4512000    
 C    4.395400     -0.2685000     -0.7777000    
 C    6.318000      -1.246200      0.5684000    
 C    4.158300      -2.513100      0.4656000    
 C    4.822700     -0.9010000      -2.100600    
 C    2.408900       1.105700     -0.1725000    
 C   0.3298000       2.177100      0.2205000    
 C   -1.126900       2.067500     -0.1652000    
 C   -1.858800      0.9694000      0.2558000    
 C   -1.701900       3.067500     -0.9318000    
 C   -3.203800      0.8686000     -9.9900000E-02
 C   -3.046800       2.966600      -1.287600    
 C   -3.797700       1.867100     -0.8718000    
 C   0.5136000       2.164400       1.678600    
 C   -3.364600      -1.459000      0.1803000    
 C   -2.710700      -1.787300     -0.9935000    
 C   -3.461800      -2.351800       1.232200    
 C   -2.134400      -3.051200      -1.119700    
 C   -2.885500      -3.615800       1.106000    
 C   -2.221700      -3.965600     -7.0000000E-02
 H    4.441700     -0.5939000       1.348800    
 H    4.912800      0.6966000     -0.6951000    
 H    6.797700     -0.2628000      0.5277000    
 H    6.587700      -1.705600       1.525900    
 H    6.742500      -1.871300     -0.2231000    
 H    4.397400      -3.030900       1.401200    
 H    3.067800      -2.452900      0.3941000    
 H    4.522500      -3.137500     -0.3562000    
 H    4.553000     -0.2441000      -2.936100    
 H    4.320800      -1.857500      -2.278300    
 H    5.903400      -1.059300      -2.151700    
 H    2.359700     -0.6373000      -1.266200    
 H   0.7362000       3.114900     -0.1813000    
 H   -1.388300      0.2065000      0.8706000    
 H   -1.128700       3.928700      -1.262700    
 H   -3.509400       3.743900      -1.888700    
 H   -4.844800       1.793800      -1.152500    
 H   -2.649200      -1.102300      -1.834000    
 H   -3.977700      -2.080800       2.148300    
 H   -1.622000      -3.325500      -2.037200    
 H   -2.953600      -4.327800       1.923300    
 H   -1.774000      -4.950100     -0.1687000    


%chk=000176850-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176850

0 1
O 1.378786 -0.181823 0.626584
O 2.774690 1.712219 0.317705
O -4.201580 0.078695 -0.541748
N 3.325461 -0.410643 -0.531701
N -0.285339 -0.622029 3.560590
C 5.748860 0.011093 -0.015084
C 4.637797 -0.037568 -1.116659
C 7.046206 0.649961 -0.563591
C 6.029625 -1.366760 0.626748
C 4.936756 -0.986129 -2.293826
C 2.545327 0.486240 0.139246
C 0.427529 0.715242 1.367608
C -0.735296 1.115988 0.469276
C -1.918946 0.343685 0.411163
C -0.592395 2.274182 -0.334883
C -2.952478 0.735472 -0.468797
C -1.641151 2.654631 -1.200817
C -2.823868 1.889545 -1.274348
C 0.030328 -0.031448 2.574465
C -4.328776 -1.308500 -0.255783
C -3.389332 -2.266402 -0.702678
C -5.511595 -1.696894 0.408437
C -3.642570 -3.634856 -0.460162
C -5.753349 -3.069178 0.638237
C -4.820056 -4.042270 0.209881
H 5.352281 0.684239 0.772083
H 4.523328 0.993844 -1.503363
H 6.845116 1.628236 -1.039721
H 7.768665 0.818618 0.255472
H 7.539465 -0.001423 -1.309450
H 6.732516 -1.257635 1.472612
H 5.106282 -1.829428 1.021940
H 6.489825 -2.067543 -0.094794
H 4.145128 -0.914087 -3.060418
H 5.005036 -2.039628 -1.964071
H 5.895361 -0.721086 -2.769546
H 3.005545 -1.379511 -0.577512
H 1.002557 1.616627 1.660377
H -2.040662 -0.535810 1.052227
H 0.332536 2.858925 -0.284356
H -1.539146 3.551505 -1.820540
H -3.651189 2.169171 -1.933189
H -2.486875 -1.952074 -1.236383
H -6.218209 -0.926415 0.730710
H -2.919413 -4.382884 -0.803331
H -6.668735 -3.376069 1.155699
H -5.008647 -5.105122 0.393792


