%chk=000146594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146594

0 1
 O   0.5917000       2.176900      0.2571000    
 O    4.571000      -1.551200     -0.2083000    
 O    4.973100      0.4453000       1.079300    
 O   -3.080100      -4.553100      0.6778000    
 N   -1.626700       2.984000      5.2700002E-02
 C  -0.9085000       1.099100      -1.377800    
 C  -0.7658000       1.812600     -1.6400000E-02
 C  -6.8099998E-02 -0.2068000      -1.362300    
 C   -1.532200       3.671100       1.340300    
 C   -3.042200       2.646200     -9.4300002E-02
 C   -2.752100       4.580500       1.331200    
 C   -3.745800       3.904900      0.3911000    
 C    1.264300      7.7999998E-03 -0.6685000    
 C  -0.4820000       1.985900      -2.563000    
 C    1.509000       1.170100      9.6900001E-02
 C  -0.8795000      -1.378100     -0.8125000    
 C    2.280100     -0.9561000     -0.8043000    
 C    2.751000       1.382300      0.7074000    
 C    3.488800     -0.7266000     -0.1799000    
 C   -1.692800      -2.112000      -1.667500    
 C  -0.7964000      -1.697900      0.5375000    
 C    3.718000      0.4117000      0.5546000    
 C   -2.434100      -3.181500      -1.165200    
 C   -1.537600      -2.767700       1.039700    
 C   -2.356400      -3.509500      0.1883000    
 C    5.507100     -0.8038000      0.5949000    
 C   -2.954000      -4.833900       2.071100    
 H   -1.953500      0.8208000      -1.561200    
 H   -1.072400       1.122100      0.7818000    
 H   0.1766000     -0.4640000      -2.404100    
 H  -0.6085000       4.250100       1.439900    
 H   -1.599900       2.971600       2.183500    
 H   -3.330900       1.795000      0.5357000    
 H   -3.331700       2.435800      -1.128200    
 H   -2.494400       5.574000      0.9460000    
 H   -3.166400       4.707000       2.336500    
 H   -4.686500       3.668300      0.8985000    
 H   -3.974800       4.573000     -0.4475000    
 H  -0.6043000       1.446700      -3.508900    
 H   -1.099000       2.888000      -2.623800    
 H   0.5643000       2.298400      -2.489100    
 H    2.123400      -1.857000      -1.389000    
 H    2.947000       2.279600       1.284900    
 H   -1.762600      -1.864100      -2.722900    
 H  -0.1794000      -1.134900       1.230800    
 H   -3.070800      -3.755300      -1.833200    
 H   -1.433000      -2.966100       2.100900    
 H    5.800100      -1.417300       1.454700    
 H    6.398000     -0.5944000     -8.2000000E-03
 H   -3.596700      -5.693700       2.286900    
 H   -3.317000      -4.001600       2.683700    
 H   -1.931100      -5.125900       2.331800    


%chk=000146594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146594

0 1
O 0.516401 2.100328 0.373767
O 4.776250 -1.471136 -0.206203
O 5.088829 0.498028 1.124828
O -3.305148 -4.566502 0.738837
N -1.659239 2.920358 0.086436
C -0.866252 1.059574 -1.415875
C -0.871009 1.700997 -0.011032
C -0.034653 -0.268394 -1.347714
C -1.667034 3.556368 1.431988
C -3.088318 2.790997 -0.318476
C -2.730376 4.662264 1.272015
C -3.785788 4.040744 0.301048
C 1.301628 -0.023972 -0.648909
C -0.330038 2.028621 -2.490866
C 1.507803 1.125265 0.162122
C -0.849760 -1.422232 -0.740048
C 2.373563 -0.949051 -0.826129
C 2.756081 1.398474 0.793414
C 3.590850 -0.678402 -0.209064
C -1.818284 -2.084801 -1.543626
C -0.705798 -1.844287 0.601639
C 3.777578 0.478592 0.580805
C -2.617534 -3.120049 -1.029228
C -1.499346 -2.884535 1.140044
C -2.461745 -3.523126 0.321519
C 5.802100 -0.598344 0.414691
C -3.172977 -5.026810 2.122602
H -1.909255 0.784619 -1.662142
H -1.188303 0.933425 0.745950
H 0.181735 -0.545220 -2.400153
H -0.664688 3.936888 1.679739
H -1.969969 2.828229 2.228037
H -3.547698 1.855214 0.087110
H -3.181912 2.760455 -1.418343
H -2.269374 5.554538 0.814783
H -3.167082 4.959832 2.241116
H -4.703406 3.741853 0.837476
H -4.079051 4.764617 -0.477968
H -0.458814 1.595961 -3.500196
H -0.863371 2.993303 -2.443839
H 0.743266 2.238356 -2.340587
H 2.230496 -1.848254 -1.432751
H 2.878891 2.292801 1.407037
H -1.941891 -1.788150 -2.593375
H 0.051321 -1.370053 1.236261
H -3.358577 -3.634904 -1.648430
H -1.353948 -3.185594 2.181921
H 6.376842 -1.183658 1.147716
H 6.433669 -0.155480 -0.380307
H -3.914152 -5.832380 2.230017
H -3.397899 -4.214508 2.841362
H -2.158310 -5.424554 2.320376


