%chk=000127170.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127170

1 1
 O   -2.988600       2.152200      0.1018000    
 O   -2.674900      0.2865000      -1.155300    
 O  -5.0799999E-02  -2.704800       1.230500    
 N    1.973200       1.038200     -9.5600002E-02
 N  -6.1500002E-02 -0.9223000     -0.2663000    
 C   0.5616000       1.376100      0.2019000    
 C  -0.1986000      0.1458000      0.7011000    
 C    2.759100       2.289500     -0.5144000    
 C    2.662800      0.4344000       1.136600    
 C    2.062700      1.6500000E-02  -1.238600    
 C   -1.673400      0.3928000       1.042500    
 C   -2.488800      0.9115000     -0.1191000    
 C   3.0000001E-04  -2.257800      8.7600000E-02
 C   0.1169000      -3.158500      -1.112800    
 H   0.1168000       1.783300     -0.7146000    
 H   0.5505000       2.165000      0.9640000    
 H   0.2400000     -0.2007000       1.643900    
 H    2.296400       2.692100      -1.420200    
 H    2.701200       3.015200      0.3024000    
 H    3.800100       2.010300     -0.7023000    
 H    2.494700       1.102400       1.986400    
 H    2.279800     -0.5685000       1.337000    
 H    3.734100      0.3628000      0.9221000    
 H    3.040400      0.1623000      -1.716100    
 H    2.101200      -1.006000     -0.8635000    
 H    1.312000      0.2373000      -2.002200    
 H   -2.159200     -0.5242000       1.396900    
 H   -1.736500       1.115700       1.865400    
 H  -0.2778000     -0.7046000      -1.234700    
 H   0.8193000      -3.965900     -0.8874000    
 H  -0.8660000      -3.582400      -1.335200    
 H   0.4806000      -2.623700      -1.994400    
 H   -3.510800       2.478100     -0.6620000    


%chk=000127170-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127170

1 1
O -3.583670 1.860516 0.236458
O -2.208874 0.971898 -1.411514
O 1.165699 -2.342323 0.676169
N 2.142702 1.009703 -0.062103
N -0.438944 -1.051070 -0.377818
C 0.608821 1.237706 0.014199
C -0.269214 0.076205 0.553765
C 2.778024 2.374897 -0.338647
C 2.695551 0.453337 1.254556
C 2.525927 0.059996 -1.200075
C -1.653915 0.643778 0.974003
C -2.477468 1.162315 -0.197599
C 0.228705 -2.254432 -0.186105
C -0.209532 -3.420416 -1.049098
H 0.282632 1.520885 -1.001063
H 0.485392 2.109850 0.681386
H 0.195190 -0.346179 1.462760
H 2.354742 2.790013 -1.266454
H 2.569597 3.050503 0.504927
H 3.865330 2.247195 -0.450786
H 2.364536 1.098244 2.083838
H 2.333450 -0.580474 1.382667
H 3.795063 0.461132 1.195380
H 3.621766 0.076621 -1.307045
H 2.199945 -0.954655 -0.942207
H 2.051880 0.402881 -2.131854
H -2.235814 -0.159910 1.463707
H -1.554449 1.445954 1.727056
H -1.132609 -0.937947 -1.124168
H 0.670059 -3.885058 -1.524954
H -0.663024 -4.191953 -0.401478
H -0.940607 -3.141219 -1.825623
H -4.150094 2.160607 -0.526880


