%chk=000127174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127174

0 1
 O    2.633300      0.6000000     -0.8916000    
 O   8.1500001E-02   1.061700       1.458900    
 O   0.3296000       2.836800      -1.662500    
 O    4.855700     -0.7178000       1.609400    
 O    5.079800       1.021400      0.1531000    
 O    1.742800      -1.752400      -2.418200    
 O   0.9524000      -2.758700     -0.5358000    
 N   -1.882700       1.391200      0.1718000    
 N   -4.053200       1.495100     -0.3256000    
 N   -1.689000     -0.9714000      0.7021000    
 N   -3.834000      -2.111400      0.4660000    
 N   -5.827100     -0.9716000     -0.2090000    
 C    1.744600       1.504500     -0.2292000    
 C   0.3874000       1.667700     -0.8631000    
 C  -0.5051000       1.835800      0.3821000    
 C    1.335900      0.7908000      0.9890000    
 C    3.089400     -0.3545000      9.9500000E-02
 C    2.102700     -0.2712000       1.220500    
 C    3.161200      -1.728300     -0.5472000    
 C    4.438500      8.0399998E-02  0.5965000    
 C   -2.367100      0.1237000      0.3270000    
 C   -2.932700       2.178500     -0.2202000    
 C   -3.714200      0.2092000      1.3400000E-02
 C    1.834100      -2.149800      -1.123000    
 C   -4.454400     -0.9660000      9.3099996E-02
 C   -2.509400      -2.043800      0.7432000    
 H    2.256600       2.451300     -2.7100001E-02
 H   0.1045000      0.8051000      -1.478900    
 H  -0.5584000       2.882800      0.7098000    
 H    1.926100      -1.027400       1.970300    
 H    3.905700      -1.742700      -1.354300    
 H    3.477000      -2.503200      0.1625000    
 H   0.9895000       2.737200      -2.369700    
 H   -2.821500       3.236600     -0.4148000    
 H    5.736800     -0.4505000       1.947500    
 H   -2.044900      -2.979000       1.037300    
 H   0.8856000      -2.009800      -2.819800    
 H   -6.292300     -0.1185000     -0.4880000    
 H   -6.343200      -1.838500     -0.1442000    


%chk=000127174-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127174

0 1
O 2.860312 0.688576 -0.870862
O 0.161042 1.355840 1.387103
O 0.299881 2.830494 -1.923049
O 5.249409 -1.052451 1.315277
O 5.261975 1.119758 0.490830
O 0.810771 -1.409302 -1.132893
O 1.221007 -3.150049 0.341458
N -1.845598 1.374174 0.049636
N -4.133334 1.439525 0.310235
N -1.643140 -1.089888 -0.496966
N -3.802585 -2.236404 -0.464026
N -5.821423 -1.095435 -0.026948
C 1.836117 1.576002 -0.326792
C 0.468393 1.669478 -1.055805
C -0.502082 1.917910 0.144275
C 1.433752 0.934511 0.975410
C 3.233879 -0.304750 0.186752
C 2.246633 -0.076063 1.345273
C 3.092625 -1.739070 -0.407892
C 4.675644 0.030880 0.632638
C -2.305629 0.063542 -0.181711
C -2.997735 2.141966 0.347017
C -3.715291 0.135742 -0.013252
C 1.630010 -2.191929 -0.367934
C -4.466983 -1.065715 -0.168069
C -2.456149 -2.189639 -0.610237
H 2.253421 2.597673 -0.208259
H 0.276879 0.714995 -1.575492
H -0.604788 3.008373 0.282686
H 2.153600 -0.770071 2.178773
H 3.458737 -1.703272 -1.449368
H 3.695407 -2.453130 0.172545
H 0.791801 2.681400 -2.768276
H -2.921704 3.204171 0.571307
H 6.145247 -0.786483 1.658603
H -1.949593 -3.131343 -0.839207
H -0.229675 -1.374202 -0.832445
H -6.328022 -0.240816 0.198108
H -6.311307 -1.981698 -0.137645


