%chk=000078186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078186

0 1
 O   -3.694000     -0.8792000       1.393500    
 O  -0.2366000      0.4352000      -2.624100    
 O    1.024800      -2.303900      -1.162400    
 N    1.715600     -0.4282000      6.6399999E-02
 C   -3.234800      0.1937000     -0.5436000    
 C   -4.590200      0.4616000     -0.1920000    
 C   -2.734200     -0.6303000      0.4597000    
 C   -4.818400     -0.2185000       1.000400    
 C  -0.5984000     -0.7467000     -0.5693000    
 C   -1.430400      -1.122500      0.4891000    
 C   -2.378600      0.5581000      -1.599100    
 C   -1.061800      7.8599997E-02  -1.596300    
 C    3.995500      0.4427000      0.2865000    
 C    3.111200     -0.6335000      0.1959000    
 C   -5.646500       1.204000     -0.7511000    
 C   0.7734000      -1.238200     -0.5798000    
 C    5.379500      0.1760000      0.4138000    
 C   -6.033600     -0.2133000       1.683200    
 C   -6.880500       1.228100     -8.6999997E-02
 C    3.552500      -1.948800      0.2269000    
 C   -7.067900      0.5312000       1.108800    
 C    3.552800       1.775200      0.2554000    
 C    5.822200      -1.156400      0.4453000    
 C    6.280100       1.249600      0.5062000    
 C    4.913500      -2.211000      0.3523000    
 C    4.461800       2.829500      0.3481000    
 C    5.822900       2.567200      0.4732000    
 H   -1.087700      -1.762600       1.294600    
 H   -2.730300       1.199500      -2.402100    
 H   -5.516900       1.751500      -1.680000    
 H   -6.171600     -0.7565000       2.610600    
 H    1.369700      0.4800000      0.3611000    
 H   -7.703400       1.798500     -0.5101000    
 H    2.879800      -2.799200      0.2012000    
 H   -8.035900      0.5677000       1.602500    
 H    2.506400       2.044400      0.1477000    
 H    6.881400      -1.384800      0.5449000    
 H    7.348400       1.068100      0.6045000    
 H    5.268800      -3.236900      0.3878000    
 H    4.107400       3.855800      0.3198000    
 H    6.530000       3.388500      0.5446000    
 H   0.6465000      5.1199999E-02  -2.501500    


%chk=000078186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078186

0 1
O -3.033262 1.221341 1.143276
O -1.136441 -2.216246 -2.818044
O 1.230858 -1.885712 -2.050661
N 1.802956 -0.370394 -0.362847
C -3.364594 -0.217683 -0.694923
C -4.668558 0.276474 -0.259150
C -2.404958 0.381422 0.181147
C -4.419642 1.139449 0.849771
C -0.566625 -0.718984 -0.935338
C -1.037937 0.156038 0.090109
C -2.917003 -1.087800 -1.701327
C -1.527890 -1.346754 -1.824105
C 3.954626 0.378502 0.554475
C 3.220061 -0.500621 -0.340397
C -6.001522 0.078284 -0.687438
C 0.872206 -1.028793 -1.146655
C 5.396308 0.239800 0.621936
C -5.428118 1.812840 1.549758
C -7.037288 0.745860 0.001895
C 3.903177 -1.439490 -1.131445
C -6.754176 1.600174 1.103919
C 3.337409 1.381143 1.376539
C 6.059830 -0.734417 -0.193184
C 6.143320 1.087460 1.505693
C 5.321959 -1.547923 -1.051805
C 4.091424 2.194038 2.227294
C 5.510416 2.045633 2.297575
H -0.376589 0.641884 0.814963
H -3.594311 -1.585375 -2.400028
H -6.228030 -0.577676 -1.534336
H -5.198089 2.466422 2.395280
H 1.422814 0.307412 0.295927
H -8.076324 0.606191 -0.313958
H 3.333168 -2.079999 -1.804693
H -7.578535 2.104438 1.619468
H 2.253743 1.553455 1.354656
H 7.150076 -0.824841 -0.131175
H 7.232357 0.966905 1.544878
H 5.826397 -2.289961 -1.679565
H 3.592920 2.952141 2.840654
H 6.092571 2.686572 2.967873
H -0.106201 -2.305809 -2.750410


