%chk=000022889.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022889

0 1
 O  -0.7428000      -2.388200      -2.011400    
 O   -2.580500      -2.721300     -0.7276000    
 N   -2.176100       2.039300      0.3322000    
 C   -1.231500     -0.7288000     -0.3237000    
 C   -2.333800     -0.3789000      0.7137000    
 C   0.1488000     -0.8035000      0.2522000    
 C   -2.154700      0.9999000       1.356200    
 C    1.181800      4.6000000E-02 -0.1764000    
 C    2.465200     -7.5800002E-02  0.4074000    
 C   0.3780000      -1.759400       1.242300    
 C   -1.606600      -2.039900      -1.023000    
 C   0.9690000       1.013700      -1.171600    
 C    2.677900      -1.043600       1.402600    
 C    1.640100      -1.879200       1.816300    
 C    3.498300      0.7736000     -2.1199999E-02
 C   -1.968800       3.357600      0.9332000    
 C   -3.440200       2.009600     -0.4048000    
 C    2.006900       1.849400      -1.585200    
 C    3.269100       1.729700      -1.011200    
 H   -1.340000     -6.5000001E-03  -1.131700    
 H   -2.329300      -1.120600       1.524100    
 H   -3.331300     -0.4824000      0.2697000    
 H   -2.949900       1.155200       2.097100    
 H   -1.204600       1.027300       1.903100    
 H  -0.4094000      -2.428900       1.577900    
 H   2.2500001E-02   1.176000      -1.671300    
 H    3.656500      -1.155400       1.864900    
 H    1.818600      -2.624800       2.585600    
 H    4.492700      0.6977000      0.4137000    
 H   -1.008600       3.392800       1.460000    
 H   -2.762400       3.618600       1.642600    
 H   -1.927800       4.132100      0.1591000    
 H   -3.510100       2.878100      -1.071300    
 H   -4.312400       2.032400      0.2589000    
 H   -3.515500       1.143300      -1.068600    
 H    1.830300       2.594400      -2.355700    
 H    4.076400       2.380600      -1.333700    
 H  -0.9999000      -3.231700      -2.441100    


%chk=000022889-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022889

0 1
O -1.328187 -2.247068 -2.238137
O -2.197466 -3.132938 -0.280778
N -2.332767 2.018064 0.071982
C -1.259378 -0.829449 -0.280599
C -2.284202 -0.401757 0.808636
C 0.177709 -0.927618 0.270234
C -2.123904 1.079385 1.206633
C 1.191686 0.052676 -0.054100
C 2.528270 -0.117649 0.494065
C 0.499262 -1.994588 1.123020
C -1.653872 -2.174060 -0.876509
C 0.946107 1.200475 -0.884797
C 2.809585 -1.229291 1.352998
C 1.808716 -2.147776 1.668237
C 3.551331 0.835412 0.171270
C -1.821407 3.371429 0.383852
C -3.736761 2.064144 -0.390458
C 1.963881 2.111602 -1.177642
C 3.281806 1.928056 -0.652898
H -1.300561 -0.090114 -1.095342
H -2.156456 -1.032548 1.707075
H -3.309920 -0.593416 0.441281
H -2.825190 1.302342 2.051743
H -1.098177 1.241105 1.588507
H -0.269351 -2.738271 1.365353
H -0.061518 1.382303 -1.272167
H 3.822387 -1.343956 1.757429
H 2.021857 -2.996667 2.326922
H 4.554751 0.687984 0.588903
H -0.744424 3.315347 0.621568
H -2.345760 3.852767 1.247571
H -1.945878 4.027643 -0.496548
H -3.817577 2.751096 -1.251589
H -4.445257 2.415320 0.402388
H -4.068199 1.067034 -0.726126
H 1.751217 2.977819 -1.814203
H 4.070763 2.648488 -0.895433
H -1.557216 -3.154926 -2.579041


