%chk=000160250.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160250

0 1
 O  -0.3441000       2.806100       1.048700    
 O   -3.382400     -0.7972000      0.6841000    
 O    5.209800     -0.5096000     -0.6532000    
 N  -0.1458000      0.5094000      0.4865000    
 N   -1.043200     -0.5584000      0.3772000    
 N   0.6903000      -2.040500     -0.2709000    
 N   -1.483200      -2.846000     -0.1067000    
 C   -2.251300       1.322000       1.045300    
 C   -3.146200       2.167800      0.1589000    
 C  -0.7918000       1.683900      0.8690000    
 C   -2.351500     -0.1423000      0.6882000    
 C    1.219300      0.3097000      0.2096000    
 C  -0.5712000      -1.823600     -8.9999996E-03
 C   -2.834000       1.955400      -1.322200    
 C    1.610600     -0.9841000     -0.1679000    
 C    2.179500       1.324500      0.2952000    
 C    2.956800      -1.243600     -0.4550000    
 C    3.518500       1.052900      6.3000000E-03
 C   -3.710900       2.824500      -2.209300    
 C    3.907700     -0.2292000     -0.3684000    
 C   -2.167900      -3.101000      -1.352800    
 C   -1.591600      -3.834900      0.9407000    
 C    4.522900       2.154000      0.1058000    
 H   -2.509600       1.440100       2.103400    
 H   -3.023300       3.228500      0.4102000    
 H   -4.196900       1.913500      0.3462000    
 H   -2.992300      0.9102000      -1.610100    
 H   -1.787000       2.196300      -1.537700    
 H    1.906700       2.333100      0.5856000    
 H    3.256500      -2.247900     -0.7477000    
 H   -4.770400       2.592600      -2.061200    
 H   -3.557600       3.886500      -1.992600    
 H   -3.470500       2.655300      -3.263700    
 H   -1.630000      -3.857400      -1.933200    
 H   -2.241100      -2.192300      -1.960300    
 H   -3.186800      -3.460000      -1.174400    
 H   -2.618100      -4.206100       1.026700    
 H   -1.312000      -3.413300       1.912500    
 H  -0.9322000      -4.683400      0.7319000    
 H    4.065100       3.102400      0.4068000    
 H    5.285800       1.906000      0.8512000    
 H    5.006800       2.315800     -0.8632000    
 H    5.287900      -1.448800     -0.8932000    


%chk=000160250-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160250

0 1
O -0.127116 2.987288 0.327548
O -3.179205 -0.672945 1.257461
O 5.440222 -0.669714 0.220214
N -0.055304 0.630961 0.122576
N -1.002018 -0.468599 0.305854
N 0.756343 -2.090092 -0.036498
N -1.486586 -2.783181 -0.131345
C -2.103657 1.548528 0.867556
C -3.209758 2.241224 0.021712
C -0.680809 1.854697 0.400965
C -2.209323 0.023965 0.868411
C 1.346876 0.324463 0.111151
C -0.531687 -1.799875 0.030897
C -3.213771 1.846756 -1.471557
C 1.708469 -1.056352 0.101168
C 2.335845 1.332550 0.126977
C 3.080469 -1.389502 0.141528
C 3.710074 1.000039 0.165702
C -4.306565 2.600561 -2.259013
C 4.061758 -0.376948 0.179793
C -2.780799 -2.566799 -0.808908
C -1.036653 -4.184596 -0.042469
C 4.785076 2.064674 0.187135
H -2.200837 1.907998 1.910547
H -3.055667 3.333302 0.114552
H -4.188683 1.999391 0.478009
H -3.380134 0.754562 -1.569021
H -2.222263 2.062974 -1.915957
H 2.030879 2.381208 0.115404
H 3.346513 -2.452755 0.126282
H -5.311359 2.387396 -1.848355
H -4.146088 3.693622 -2.207987
H -4.307105 2.309119 -3.324862
H -2.864559 -3.283155 -1.649077
H -2.841235 -1.548787 -1.223031
H -3.624915 -2.704262 -0.113502
H -1.902950 -4.812108 0.229860
H -0.254612 -4.276366 0.725528
H -0.612134 -4.540430 -1.002232
H 4.342641 3.074638 0.175313
H 5.421724 1.969226 1.086069
H 5.461266 1.965819 -0.682220
H 5.588942 -1.647593 0.225121


