%chk=000130558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130558

0 1
 O  -0.3332000     -5.3100001E-02  2.7500000E-02
 O   0.6879000      -2.539400      4.8000000E-02
 O    2.957000      -2.636600     -0.3749000    
 O   -1.091300       1.493300      -1.500000    
 O   -5.963200       1.682000      0.1519000    
 N    3.320600       1.261300       1.135700    
 C    3.408800     -8.4899999E-02  0.5344000    
 C    2.782900       2.077200      3.0300001E-02
 C    1.961400     -0.6313000      0.5184000    
 C    3.972000      0.1729000     -0.8720000    
 C    3.551200       1.604500      -1.206400    
 C    1.281900       1.744600     -6.9399998E-02
 C    1.016800      0.2496000     -0.3165000    
 C    4.606900       1.749100       1.626500    
 C    1.957800      -2.044300      9.6000005E-03
 C   -1.287800      0.6450000     -0.6438000    
 C   0.5389000      -3.886000     -0.4126000    
 C   -2.643900      0.2399000     -0.1949000    
 C   -3.665200       1.167100     -0.2367000    
 C   -2.841200      -1.051400      0.2501000    
 C   -4.939200      0.7862000      0.1847000    
 C   -4.115000      -1.432200      0.6714000    
 C   -5.164000     -0.5136000      0.6387000    
 H    4.054700     -0.7575000       1.111800    
 H    2.899600       3.153400      0.2016000    
 H    1.600200     -0.6849000       1.556300    
 H    3.612600     -0.5280000      -1.630600    
 H    5.066800      0.1080000     -0.8634000    
 H    4.444200       2.220100      -1.367000    
 H    2.951200       1.650100      -2.121200    
 H   0.7734000       2.067800      0.8495000    
 H   0.8749000       2.363300     -0.8747000    
 H    1.151600      1.8400000E-02  -1.382100    
 H    4.967900       1.105100       2.436000    
 H    4.489400       2.751600       2.052500    
 H    5.386500       1.797400      0.8596000    
 H    1.127300      -4.566600      0.2099000    
 H   0.8401000      -3.962400      -1.461700    
 H  -0.5167000      -4.158300     -0.3299000    
 H   -3.488400       2.180100     -0.5875000    
 H   -2.046600      -1.790100      0.2728000    
 H   -4.291200      -2.445100       1.021800    
 H   -6.154500     -0.8165000      0.9673000    
 H   -5.629900       2.529800     -0.1891000    


%chk=000130558-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130558

0 1
O -0.440668 0.233196 0.212662
O 1.655951 -3.012737 0.412816
O 1.335815 -1.983730 -1.650156
O -1.206780 1.568662 -1.542873
O -6.366736 1.096677 -1.083284
N 3.507138 0.957313 1.203187
C 3.343610 -0.223467 0.302162
C 2.935269 2.057511 0.357698
C 1.823474 -0.618701 0.361831
C 3.778939 0.269675 -1.125456
C 3.517133 1.813906 -1.083203
C 1.394349 1.909181 0.395186
C 0.971744 0.543243 -0.182121
C 4.906118 1.187633 1.634625
C 1.563899 -1.895833 -0.420517
C -1.444706 0.812619 -0.566358
C 1.457945 -4.325575 -0.250763
C -2.809765 0.429853 -0.097931
C -3.913691 0.950092 -0.819902
C -3.018631 -0.414288 1.021509
C -5.224945 0.620877 -0.417725
C -4.339555 -0.731623 1.409991
C -5.445642 -0.220839 0.699288
H 3.944587 -1.072453 0.669551
H 3.222222 3.039258 0.771960
H 1.586343 -0.796819 1.423663
H 3.211410 -0.234272 -1.926624
H 4.848464 0.052060 -1.292270
H 4.454092 2.380406 -1.225761
H 2.811688 2.141415 -1.866974
H 1.063980 1.975818 1.447411
H 0.907984 2.715702 -0.181414
H 1.000544 0.558535 -1.286625
H 5.247050 0.323289 2.231543
H 4.938831 2.079651 2.284678
H 5.632742 1.340492 0.801380
H 2.227169 -4.483291 -1.025503
H 0.460578 -4.366845 -0.719364
H 1.549434 -5.064467 0.557355
H -3.715111 1.600233 -1.681477
H -2.157478 -0.807197 1.566990
H -4.512151 -1.382338 2.273768
H -6.473934 -0.457901 0.988063
H -6.115508 1.670680 -1.849118


