%chk=000031805.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031805

0 1
 O   -3.007000     -0.6071000       1.247000    
 O   0.8684000      -2.104900     -0.4594000    
 O   -3.455900      -3.041600      2.5200000E-02
 O   -4.911200       1.531100      0.8561000    
 N    2.295500      0.2642000      0.1350000    
 C  -0.6512000     -0.5692000      0.6100000    
 C   0.1410000     -0.8881000     -0.6571000    
 C    1.082800      0.4024000     -0.6819000    
 C   -1.852800      -1.465500      0.9576000    
 C   0.3807000     -0.4090000       1.815600    
 C   -1.424600      0.6939000      0.2280000    
 C  -0.7505000      -1.172700      -1.898200    
 C   -2.165900      -2.470400     -0.1675000    
 C   0.3744000       1.614000      -1.355400    
 C    1.936700     -0.4458000       1.409100    
 C   -2.089600      -1.863800      -1.568400    
 C   -1.012100       1.720600     -0.6643000    
 C   -2.721400      0.6018000      0.6728000    
 C    3.434200     -0.2977000     -0.5623000    
 C    4.672600     -0.2232000      0.2806000    
 C   -1.920600       2.739200     -0.9401000    
 C    5.078900       1.201000      0.7131000    
 C    5.997200     -0.2788000     -0.5088000    
 C   -3.629100       1.608300      0.4123000    
 C    6.542500      0.7709000      0.4820000    
 C   -3.213100       2.690300     -0.3813000    
 H    1.568100      0.1441000      -1.640200    
 H   -1.685800      -2.039100       1.876800    
 H   0.2313000      -1.204700       2.554600    
 H   0.1891000      0.5441000       2.325000    
 H  -0.2026000      -1.819300      -2.596900    
 H  -0.9842000     -0.2780000      -2.480300    
 H   -1.446700      -3.295700     -0.1123000    
 H   0.2487000       1.507400      -2.438500    
 H   0.9407000       2.529700      -1.153600    
 H    2.505300      5.4000001E-03   2.230900    
 H    2.242300      -1.498800       1.368400    
 H   -2.908900      -1.144500      -1.699100    
 H   -2.292500      -2.640900      -2.316600    
 H    3.268700      -1.335200     -0.8706000    
 H    3.608000      0.2758000      -1.483300    
 H    1.399800      -2.270600      -1.255900    
 H    4.673500     -0.9316000       1.121400    
 H   -1.652200       3.556000      -1.603600    
 H    4.828200       1.477500       1.740700    
 H    4.753400       2.003400      3.9999999E-02
 H    5.943700      8.6900003E-02  -1.541000    
 H    6.512300      -1.243000     -0.5032000    
 H    7.201300       1.531500      5.6100000E-02
 H    7.020500      0.3364000       1.367500    
 H   -4.103100      -2.315800      2.1100000E-02
 H   -3.911100       3.491100     -0.6172000    
 H   -5.393800       2.321400      0.5586000    


%chk=000031805-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031805

0 1
O -2.960118 -0.553636 1.247062
O 0.548953 -2.680615 -0.643379
O -3.931023 -2.842685 0.049208
O -4.447921 1.976043 1.199790
N 2.180428 -0.255154 -0.058172
C -0.643541 -0.864495 0.446222
C 0.009101 -1.317435 -0.880825
C 1.174327 -0.300438 -1.163587
C -1.939126 -1.632268 0.853287
C 0.405855 -0.807009 1.616309
C -1.195607 0.525926 0.155455
C -1.009229 -1.387142 -2.061589
C -2.549614 -2.476686 -0.283382
C 0.646331 1.152822 -1.444192
C 1.867389 -1.015451 1.172662
C -2.467204 -1.753145 -1.644003
C -0.589023 1.518029 -0.628338
C -2.477365 0.655735 0.704212
C 3.578689 -0.408616 -0.518685
C 4.619227 0.181635 0.442622
C -1.277929 2.755486 -0.720550
C 4.633697 1.735295 0.654905
C 6.100579 0.269418 -0.075745
C -3.169429 1.880335 0.623349
C 6.200065 1.704246 0.555223
C -2.528998 2.937087 -0.080493
H 1.678269 -0.650440 -2.094133
H -1.823299 -2.239891 1.763235
H 0.166262 -1.585587 2.363427
H 0.308579 0.172095 2.119305
H -0.622779 -2.138337 -2.779836
H -1.029959 -0.427266 -2.604746
H -1.996441 -3.430797 -0.327529
H 0.400713 1.266610 -2.521127
H 1.486758 1.840024 -1.235119
H 2.525808 -0.645990 1.981203
H 2.063311 -2.103435 1.044741
H -3.086191 -0.837976 -1.588155
H -2.933868 -2.403689 -2.404508
H 3.833390 -1.486253 -0.711260
H 3.677110 0.122019 -1.486898
H 0.943349 -3.010995 -1.490806
H 4.593243 -0.342784 1.416017
H -0.857160 3.577320 -1.311119
H 4.188841 2.124591 1.584944
H 4.167825 2.258228 -0.200562
H 6.145929 0.299468 -1.180679
H 6.811545 -0.492628 0.285242
H 6.682421 2.487278 -0.052904
H 6.679536 1.685545 1.549986
H -4.362812 -2.026256 0.420302
H -3.042108 3.904737 -0.165392
H -4.822887 2.880529 1.057508


