%chk=000171468.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171468

0 1
 O   -3.550000      0.4518000     -0.9941000    
 O   -2.836700      0.4491000       1.920000    
 O   -5.935500     -0.8218000      0.5874000    
 O   -4.188900       3.146800      -1.294700    
 O   -1.688800      -3.072300     -0.1837000    
 O    2.795200       1.042300      0.5348000    
 O    7.761100       1.599600      0.6943000    
 O    7.503600     -0.4151000     -0.3202000    
 N   -1.671100     -0.7623000     -0.2951000    
 N   0.3535000      -2.087500     -0.3402000    
 N    2.385900      -1.004100     -0.5006000    
 C   -3.640300     -0.4656000       1.183700    
 C   -4.978200      0.1863000      0.9038000    
 C   -3.098500     -0.6689000     -0.2226000    
 C   -4.715400       1.013600     -0.3559000    
 C   -4.426900       2.480000     -6.7100003E-02
 C  -0.8940000      0.3891000     -0.3922000    
 C   -1.030200      -2.034300     -0.2688000    
 C   0.4373000      0.3665000     -0.4629000    
 C    1.018400     -0.9837000     -0.4290000    
 C    3.187600      1.3900000E-02 -1.2100000E-02
 C    4.665100     -0.2690000     -0.2085000    
 C    5.533300      0.8624000      0.3352000    
 C    7.013500      0.5832000      0.1886000    
 H   -3.699200      -1.408500       1.736200    
 H   -5.373800      0.7816000       1.731600    
 H   -3.545400      -1.562800     -0.6741000    
 H   -5.537400      0.9373000      -1.077400    
 H   -5.277800       2.954300      0.4313000    
 H   -3.533100       2.601300      0.5517000    
 H   -3.261300      0.5790000       2.785200    
 H   -5.657200      -1.282300     -0.2215000    
 H   -1.414300       1.339100     -0.4370000    
 H   -4.011900       4.079600      -1.084700    
 H   0.9715000       1.282700     -0.6593000    
 H    2.827200      -1.897600     -0.7020000    
 H    4.909200      -1.209900      0.2994000    
 H    4.854500     -0.4113000      -1.279100    
 H    5.324400       1.012500       1.400900    
 H    5.308800       1.793000     -0.1987000    
 H    8.722300       1.427800      0.6002000    


%chk=000171468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171468

0 1
O -3.804731 0.389424 -1.280764
O -3.531327 -0.661305 1.966137
O -6.465888 -0.476154 -0.229112
O -3.101185 3.055756 -0.409180
O -1.849455 -2.605872 0.897691
O 3.015055 1.474713 -0.670615
O 8.112268 1.145022 -0.576083
O 7.250443 0.561896 1.498939
N -1.823901 -0.580934 -0.276519
N 0.228937 -1.564064 0.530595
N 2.273920 -0.554049 0.247296
C -4.199650 -0.959381 0.711182
C -5.328268 0.091674 0.498971
C -3.291247 -0.774456 -0.567985
C -4.639629 1.197514 -0.322620
C -3.818098 2.171382 0.525038
C -1.144933 0.521127 -0.740441
C -1.146623 -1.654016 0.422018
C 0.230721 0.627177 -0.577759
C 0.881037 -0.479412 0.057244
C 3.263345 0.377862 -0.093943
C 4.673609 -0.039383 0.334375
C 5.751080 0.710485 -0.465736
C 7.067590 0.775787 0.279328
H -4.625131 -1.977792 0.714208
H -5.733335 0.422811 1.465712
H -3.365938 -1.645539 -1.241800
H -5.342050 1.751267 -0.965871
H -4.529023 2.749338 1.152860
H -3.122959 1.625229 1.192076
H -2.934628 -1.438667 2.153648
H -6.195517 -0.631767 -1.171902
H -1.750516 1.293024 -1.225327
H -2.624177 3.755192 0.103598
H 0.790046 1.489663 -0.933836
H 2.556824 -1.422678 0.715379
H 4.798524 0.199037 1.410151
H 4.802447 -1.134203 0.244471
H 5.403755 1.746177 -0.653622
H 5.918386 0.266093 -1.461805
H 8.956724 1.217819 -0.053197


