%chk=000055487.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055487

0 1
 O   -1.610200      -1.201300      6.0400002E-02
 O   -4.681000      0.4531000     -9.5500000E-02
 O   -4.166800      -1.684700     -3.8400002E-02
 N   -3.815900     -0.4689000     -4.5899998E-02
 C    2.083600      0.7219000     -0.3160000    
 C   0.8297000       1.519000      0.1469000    
 C    3.353700       1.355000      0.2772000    
 C    2.027000     -0.7896000     -2.4000000E-02
 C  -0.3985000      0.6838000      7.2099999E-02
 C    4.618700      0.6209000     -0.1736000    
 C  -0.3358000     -0.7025000      9.7099997E-02
 C   0.8651000      -1.452300      0.1519000    
 C   -1.762300       1.044000      5.5999998E-03
 C    3.296700      -1.495000      3.8999999E-03
 C    4.478600     -0.8689000     -8.5699998E-02
 C   -2.458700     -0.1413000      1.9999999E-04
 C   -2.323900       2.407000     -3.6200002E-02
 H    2.142200      0.8161000      -1.411600    
 H   0.9531000       1.851200       1.185800    
 H   0.7275000       2.419400     -0.4699000    
 H    3.299900       1.332500       1.374300    
 H    3.423900       2.410200     -1.3000000E-02
 H    5.458800      0.9449000      0.4513000    
 H    4.862500      0.8906000      -1.207800    
 H   0.8190000      -2.522600      0.3200000    
 H    3.280100      -2.578000      9.0599999E-02
 H    5.390800      -1.458800     -8.9100003E-02
 H   -3.006700       2.571200      0.8039000    
 H   -2.875600       2.568900     -0.9679000    
 H   -1.543300       3.171700      2.3000000E-02


%chk=000055487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055487

0 1
O -1.614707 -1.274109 -0.003915
O -4.684490 0.575904 -0.202914
O -4.282055 -1.693896 -0.173443
N -3.884524 -0.460192 -0.148569
C 2.090291 0.712871 -0.271153
C 0.849165 1.494443 0.261339
C 3.403012 1.371672 0.220949
C 2.070183 -0.792354 0.060895
C -0.419321 0.696617 0.079817
C 4.659260 0.626871 -0.287381
C -0.337077 -0.704583 0.076746
C 0.866246 -1.472401 0.172278
C -1.803960 1.051812 0.000951
C 3.344158 -1.495056 0.124986
C 4.549532 -0.865665 -0.055975
C -2.496820 -0.175241 -0.054645
C -2.389299 2.434991 -0.012243
H 2.073772 0.770700 -1.383778
H 0.990929 1.710138 1.342443
H 0.793556 2.473978 -0.248177
H 3.407040 1.368780 1.329201
H 3.431139 2.429921 -0.101894
H 5.566252 1.020963 0.210376
H 4.804914 0.820076 -1.372592
H 0.823256 -2.556534 0.315560
H 3.315229 -2.578364 0.301247
H 5.475863 -1.454322 -0.040167
H -3.100942 2.572987 0.820456
H -2.972209 2.609732 -0.933609
H -1.596194 3.197760 0.062809