%chk=000152562.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152562

0 1
 O   -2.263800      1.1000000E-03  -2.872900    
 O   -5.294300     -1.8000000E-03   2.275400    
 O   -6.331100     -7.9999998E-04  0.2631000    
 N  -2.7700000E-02  1.9999999E-04  -1.164800    
 N    3.720000     -3.0000001E-04  0.7122000    
 C    1.243100     -9.9999997E-05 -0.5282000    
 C    1.862900      -1.214800     -0.2180000    
 C    1.863000       1.214500     -0.2177000    
 C    3.118500      -1.167400      0.4109000    
 C    3.118700       1.166900      0.4111000    
 C   -1.334900      1.1000000E-03 -0.6606000    
 C    1.263000      -2.450100     -0.5187000    
 C    1.263200       2.450000     -0.5181000    
 C    3.740700      -2.373500      0.7223000    
 C    3.741000       2.372800      0.7229000    
 C    1.906000      -3.641600     -0.1970000    
 C    1.906300       3.641400     -0.1959000    
 C   -2.439700      1.0000000E-03  -1.521300    
 C    3.147400      -3.602900      0.4248000    
 C    3.147700       3.602300      0.4259000    
 C   -1.546500      7.9999998E-04  0.7236000    
 C   -3.735700      6.9999998E-04  -1.005600    
 C   -3.937100      5.0000002E-04  0.3747000    
 C   -2.842500      5.0000002E-04   1.239300    
 C   -5.288300     -6.0000003E-04  0.9126000    
 H   3.8300000E-02  1.9000000E-03  -2.178500    
 H   0.2952000      -2.516500      -1.009000    
 H   0.2955000       2.516700      -1.008400    
 H    4.714000      -2.369600       1.209700    
 H    4.714300       2.368600       1.210300    
 H    1.441200      -4.594300     -0.4313000    
 H    1.441500       4.594300     -0.4299000    
 H  -0.7136000      6.0000003E-04   1.422200    
 H    3.657900      -4.526900      0.6800000    
 H    3.658300       4.526200      0.6814000    
 H   -4.585800      5.0000002E-04  -1.683800    
 H   -2.952400      3.0000001E-04   2.320100    
 H   -3.133800      1.0000000E-03  -3.307500    
 H   -6.206700     -2.7999999E-03   2.635900    


%chk=000152562-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152562

0 1
O -2.182404 0.005215 -2.897192
O -5.374080 -0.008145 2.367042
O -6.370012 -0.003743 0.267724
N -0.065960 0.002358 -1.292832
N 3.742415 -0.000013 0.742772
C 1.190832 0.001541 -0.595972
C 1.820456 -1.230009 -0.257874
C 1.822537 1.232322 -0.258977
C 3.116056 -1.174927 0.418868
C 3.118124 1.175665 0.417664
C -1.312875 0.000890 -0.672116
C 1.242419 -2.513950 -0.554301
C 1.246557 2.516972 -0.556343
C 3.772458 -2.409199 0.762147
C 3.776685 2.409135 0.759684
C 1.907681 -3.684576 -0.203753
C 1.913859 3.686792 -0.206971
C -2.473627 0.002312 -1.512614
C 3.184330 -3.632746 0.458870
C 3.190585 3.633400 0.455377
C -1.501480 -0.001927 0.736329
C -3.761156 0.000935 -0.975131
C -3.937391 -0.001888 0.438847
C -2.797439 -0.003334 1.283185
C -5.316278 -0.003176 0.959056
H -0.073543 0.004647 -2.316242
H 0.269475 -2.548843 -1.054604
H 0.273482 2.553072 -1.056315
H 4.740876 -2.336751 1.266245
H 4.745052 2.335507 1.263707
H 1.459543 -4.658215 -0.430005
H 1.467263 4.660983 -0.433897
H -0.625796 -0.002955 1.392191
H 3.690087 -4.567419 0.724623
H 3.697973 4.567456 0.720187
H -4.654146 0.002029 -1.612608
H -2.939845 -0.005472 2.366884
H -3.007827 0.006219 -3.438990
H -6.331083 -0.010265 2.636532


