%chk=000123701.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123701

0 1
 O  -0.9459000      0.5241000     -0.9069000    
 O  -0.5472000       2.311700      0.4954000    
 O   -5.292700       1.167700      0.8593000    
 O   -3.823800      7.1999999E-03   2.165900    
 N   -1.328400      -2.295100     -0.6245000    
 C   -2.436800      -1.312500     -0.5270000    
 C   -1.935000      2.9999999E-02  2.0999999E-03
 C   -1.835000      -3.634900      -1.175800    
 C  -0.7050000      -2.551400      0.7544000    
 C  -0.2250000      -1.781000      -1.559200    
 C   -3.041600       1.071200      0.1795000    
 C    2.094900       2.190100      -1.098400    
 C    2.637300      0.8483000     -0.5963000    
 C   0.6569000       2.085300      -1.606300    
 C    4.066600      0.9905000     -6.8899997E-02
 C  -0.3271000       1.682200     -0.5303000    
 C    4.598100     -0.3413000      0.4636000    
 C   -4.156200      0.7068000       1.170600    
 C    6.013400     -0.1923000       1.020900    
 C    6.532500      -1.506500       1.581900    
 H   -2.858900      -1.195800      -1.533100    
 H   -3.208000      -1.740800      0.1228000    
 H   -1.464400     -0.1035000      0.9821000    
 H   -2.238500      -3.458800      -2.177200    
 H   -2.616400      -4.004200     -0.5051000    
 H   -1.000400      -4.341100      -1.214900    
 H   -1.508300      -2.793500       1.456300    
 H  -0.1410000      -1.675400       1.082500    
 H  -1.7100001E-02  -3.398000      0.6624000    
 H   0.4741000      -1.145800      -1.014100    
 H  -0.6776000      -1.313900      -2.438700    
 H   0.3530000      -2.650900      -1.892700    
 H   -3.494400       1.259700     -0.8042000    
 H   -2.695000       2.049300      0.5166000    
 H    1.997900      0.4614000      0.2056000    
 H    2.617600      0.1161000      -1.412400    
 H    2.140800       2.926800     -0.2870000    
 H    2.731900       2.563200      -1.909100    
 H   0.3245000       3.050300      -2.005700    
 H   0.6125000       1.372700      -2.438700    
 H    4.720700       1.354500     -0.8704000    
 H    4.088300       1.739700      0.7319000    
 H    3.931700     -0.7131000       1.251600    
 H    4.594700      -1.087300     -0.3404000    
 H    6.024100      0.5645000       1.813900    
 H    6.689500      0.1554000      0.2312000    
 H    6.563600      -2.278800      0.8067000    
 H    5.896000      -1.863800       2.397800    
 H    7.546300      -1.377300       1.973600    


%chk=000123701-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123701

0 1
O -1.163878 1.259379 -0.862865
O -0.084496 0.603341 1.089525
O -5.656104 -0.211792 -2.074859
O -4.441257 -1.314011 -0.409792
N -1.695373 -2.212552 0.348471
C -1.702054 -1.180015 -0.842344
C -2.270787 0.238737 -0.598508
C -2.470751 -3.452866 -0.108641
C -2.366842 -1.694879 1.622934
C -0.255534 -2.586996 0.677750
C -3.410363 0.579996 -1.558859
C 2.196311 2.324314 0.356163
C 2.991710 1.195372 -0.337960
C 0.777283 2.522089 -0.218891
C 4.427251 1.046554 0.213621
C -0.163829 1.369852 0.089716
C 5.224496 -0.096834 -0.453871
C -4.631194 -0.392204 -1.342224
C 6.667007 -0.232148 0.085187
C 7.454095 -1.382347 -0.579265
H -0.650786 -1.102545 -1.169974
H -2.294418 -1.656294 -1.634535
H -2.591622 0.387497 0.441675
H -1.976847 -3.873206 -0.999871
H -3.494525 -3.103011 -0.341277
H -2.465369 -4.192245 0.708821
H -3.395594 -1.412745 1.335445
H -1.779558 -0.848285 2.006138
H -2.366391 -2.521665 2.352490
H 0.267341 -1.675955 1.005728
H 0.223578 -3.009164 -0.220067
H -0.259566 -3.338664 1.483310
H -3.080120 0.514484 -2.612637
H -3.750495 1.617334 -1.394470
H 2.452603 0.233694 -0.210171
H 3.036916 1.391888 -1.429659
H 2.119947 2.108726 1.439033
H 2.750388 3.277905 0.253636
H 0.315562 3.432491 0.215577
H 0.795130 2.679609 -1.312264
H 4.973409 2.002871 0.073830
H 4.382522 0.871674 1.308846
H 4.687173 -1.057101 -0.302647
H 5.259096 0.069979 -1.550985
H 6.632656 -0.391007 1.182454
H 7.204991 0.724782 -0.072782
H 7.523071 -1.234901 -1.673687
H 6.958792 -2.356153 -0.403334
H 8.483622 -1.451284 -0.182610


