%chk=000170379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170379

0 1
 O   -3.728500      -1.114700      0.7579000    
 O    3.927300     -0.4357000     -0.1539000    
 O    2.110700      0.6705000      0.7299000    
 O    6.463800     -0.7799000     -0.6243000    
 N   -5.813700     -0.1688000      0.6738000    
 N    7.207100       1.182100      0.3705000    
 C   -1.786700     -0.1621000     -0.3739000    
 C   -2.581900      0.9840000     -0.9234000    
 C   0.3277000      -1.332200     -0.1508000    
 C    1.782900      -1.436700     -0.4597000    
 C   -2.395000      -1.133800      0.4251000    
 C  -0.4188000     -0.2686000     -0.6587000    
 C   -4.021600      0.9322000     -0.5171000    
 C  -0.2864000      -2.297200      0.6449000    
 C   -4.518300     -8.9299999E-02  0.2862000    
 C   -1.646900      -2.199400      0.9333000    
 C    2.075700      -1.585400      -1.966700    
 C   -4.915600       1.920100     -0.9386000    
 C    2.596000     -0.2658000      0.1080000    
 C   -6.249700       1.862700     -0.5549000    
 C   -6.644900      0.8066000      0.2454000    
 C    4.792800      0.5837000      0.3561000    
 C   -8.069000      0.7094000      0.6800000    
 C    6.227200      0.2639000     -8.3999997E-03
 C    8.601300      0.9217000      3.3799998E-02
 C    6.964600       2.432600       1.085400    
 H   -2.145300       1.922900     -0.5614000    
 H   -2.522000      0.9629000      -2.018400    
 H    2.180500      -2.331500      3.9500002E-02
 H   5.3100001E-02  0.4888000      -1.280700    
 H   0.2794000      -3.132500       1.048700    
 H   -2.118500      -2.956300       1.554600    
 H    3.130700      -1.821400      -2.143700    
 H    1.476400      -2.392400      -2.402300    
 H    1.852000     -0.6626000      -2.513500    
 H   -4.573900       2.738100      -1.567400    
 H   -6.948300       2.626700     -0.8784000    
 H    4.704000      0.6197000       1.447100    
 H    4.516100       1.542800     -9.4300002E-02
 H   -8.350100       1.591600       1.263800    
 H   -8.728200      0.6312000     -0.1904000    
 H   -8.230100     -0.1747000       1.305700    
 H    8.967800       1.734800     -0.5998000    
 H    9.185900      0.8855000      0.9578000    
 H    8.723700     -2.4499999E-02 -0.4990000    
 H    5.916600       2.569500       1.352400    
 H    7.561700       2.433000       2.002200    
 H    7.277500       3.264200      0.4472000    


%chk=000170379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170379

0 1
O -3.747307 -1.053292 0.667640
O 3.820064 -0.733216 1.033898
O 2.596992 0.862027 -0.147082
O 5.541558 -0.323706 -1.007373
N -5.809176 -0.057971 0.455296
N 6.891890 1.188070 0.144717
C -1.661530 -0.077885 -0.294276
C -2.395007 1.142521 -0.830438
C 0.434156 -1.351837 0.020713
C 1.932339 -1.537123 -0.222883
C -2.351181 -1.089391 0.415975
C -0.269907 -0.231860 -0.483220
C -3.888710 1.098649 -0.551106
C -0.289635 -2.342041 0.733078
C -4.495354 0.034843 0.170490
C -1.678683 -2.216507 0.929616
C 2.256268 -1.815485 -1.725479
C -4.764960 2.115528 -0.987698
C 2.762870 -0.328508 0.196758
C -6.147451 2.046414 -0.705274
C -6.643664 0.937415 0.025660
C 4.852828 0.281267 1.270519
C -8.107465 0.781415 0.372930
C 5.789536 0.351790 0.035869
C 7.818391 1.301458 -0.995757
C 7.211846 2.019057 1.314797
H -1.960032 2.060383 -0.384412
H -2.223065 1.230832 -1.922352
H 2.291050 -2.394534 0.371863
H 0.284075 0.550210 -1.015508
H 0.235834 -3.215964 1.135690
H -2.254540 -2.970137 1.474375
H 3.345357 -1.918711 -1.872157
H 1.751237 -2.743152 -2.045507
H 1.897026 -0.984389 -2.356398
H -4.360456 2.965400 -1.550881
H -6.830518 2.831655 -1.041242
H 5.383947 -0.063335 2.172028
H 4.378552 1.264196 1.450670
H -8.706706 1.628972 0.000434
H -8.506125 -0.153949 -0.059296
H -8.235736 0.707214 1.467618
H 7.848275 2.342817 -1.369719
H 8.840646 1.001472 -0.696031
H 7.461832 0.637770 -1.797516
H 6.466807 1.900750 2.114334
H 8.204017 1.747270 1.725133
H 7.238920 3.089298 1.031106


