%chk=000030988.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030988

0 1
 O    2.073400     -3.5799999E-02  0.2333000    
 O   -1.020200       1.442400     -0.2384000    
 O    3.527700     -1.6899999E-02  -1.551100    
 O   -1.682100       2.972400       1.349200    
 N    4.160600      0.7747000      0.5128000    
 N   -1.690600       3.495700     -0.8897000    
 C  -0.2459000     -0.8595000      0.2021000    
 C   -1.324200      -1.465400     -0.7497000    
 C  -1.8000000E-03  -1.837700       1.397500    
 C    1.066900     -0.6156000     -0.5868000    
 C  -0.7643000      0.4862000      0.7831000    
 C   -2.701500      -1.730800     -0.1283000    
 C   0.4915000      -3.232900       1.028700    
 C   -3.681500      -2.256100      -1.168400    
 C    3.273100      0.2182000     -0.3746000    
 C   -1.481100       2.661100      0.1801000    
 H   -1.460900     -0.7805000      -1.598000    
 H  -0.9463000      -2.394300      -1.194600    
 H  -0.9141000      -1.937400       1.997700    
 H   0.7389000      -1.391600       2.074500    
 H    1.439300      -1.555500      -1.010700    
 H   0.8686000      6.1600000E-02  -1.427800    
 H   -1.671700      0.3340000       1.378400    
 H  -8.9999996E-03  0.9022000       1.463000    
 H   -2.626500      -2.467100      0.6777000    
 H   -3.123700     -0.8153000      0.2959000    
 H    1.445800      -3.201000      0.4967000    
 H   0.6485000      -3.818300       1.941200    
 H  -0.2351000      -3.775300      0.4182000    
 H   -4.657200      -2.443600     -0.7091000    
 H   -3.820900      -1.532100      -1.977600    
 H   -3.325000      -3.195200      -1.603800    
 H    3.902500      0.9501000       1.478100    
 H    5.101700       1.027500      0.2307000    
 H   -1.509300       3.191400      -1.840400    
 H   -2.033100       4.442000     -0.7626000    


%chk=000030988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030988

0 1
O 2.045596 -0.095313 0.281288
O -1.037078 1.412339 -0.251899
O 3.389971 0.323546 -1.611894
O -1.324622 3.120673 1.349766
N 4.086873 0.863948 0.565506
N -1.513452 3.520074 -0.957636
C -0.284547 -0.878886 0.228174
C -1.358557 -1.448922 -0.753300
C 0.010127 -1.842196 1.424550
C 0.988815 -0.635247 -0.613445
C -0.747716 0.458067 0.850100
C -2.725114 -1.816046 -0.130866
C 0.433357 -3.275907 1.038213
C -3.703508 -2.371561 -1.189463
C 3.203986 0.366965 -0.370408
C -1.296044 2.734412 0.154892
H -1.527237 -0.701220 -1.553114
H -0.943988 -2.349914 -1.250278
H -0.890366 -1.894229 2.068330
H 0.809417 -1.387617 2.040282
H 1.358898 -1.571313 -1.069404
H 0.798175 0.096193 -1.417604
H -1.663977 0.329127 1.453699
H 0.039414 0.887984 1.493259
H -2.590627 -2.568820 0.670402
H -3.177013 -0.923955 0.344579
H 1.351117 -3.281810 0.422839
H 0.644902 -3.866780 1.948067
H -0.357554 -3.805054 0.476465
H -4.679248 -2.632054 -0.740100
H -3.886227 -1.628160 -1.988131
H -3.296123 -3.282832 -1.666965
H 3.843458 0.875838 1.552723
H 4.974272 1.239347 0.244269
H -1.448951 3.124233 -1.892068
H -1.713929 4.506690 -0.823529


