%chk=000017133.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017133

1 1
 O    4.524300       1.376500       1.538300    
 O    5.750600     -0.3889000      0.4739000    
 O   -4.552900       1.620600      2.1000000E-02
 O   -5.832400     -0.2981000      0.7023000    
 N  -0.3647000       1.425400     -0.7604000    
 C    1.805800      0.3297000     -0.8823000    
 C    2.430400      -1.075800      -1.217200    
 C   0.3183000      0.2760000     -0.6271000    
 C  -0.3619000     -0.8913000     -0.2369000    
 C    2.519600       1.081100      0.2323000    
 C    1.669200      -2.222600     -0.5981000    
 C    3.899100      -1.190800     -0.8456000    
 C   -1.761600     -0.8315000      2.6000001E-02
 C   0.4175000      -2.132500     -0.1314000    
 C   -2.412100      0.4177000     -0.1286000    
 C    3.754400      0.7338000      0.6098000    
 C    4.464400     -0.3380000      1.4900000E-02
 C   -1.674700       1.529300     -0.5288000    
 C   -3.780500      0.4994000      0.1221000    
 C   0.2852000       2.658400      -1.225500    
 C   -2.566900      -1.941900      0.4285000    
 C   -4.518200     -0.5920000      0.5109000    
 C    5.774300      0.6753000       1.438800    
 C   -3.940400      -1.827600      0.6725000    
 C   -5.847200       1.107700      0.3907000    
 H    1.988800      0.9022000      -1.798300    
 H    2.366800      -1.214100      -2.306400    
 H    2.051400       1.916300      0.7395000    
 H    2.161800      -3.191600     -0.5468000    
 H    4.478300      -2.010200      -1.261800    
 H  -3.7099998E-02  -3.016900      0.2969000    
 H   -2.132500       2.504100     -0.6586000    
 H   0.8519000       3.110100     -0.4130000    
 H   0.8828000       2.473500      -2.118200    
 H  -0.4735000       3.387300      -1.532400    
 H   -2.129700      -2.928800      0.5588000    
 H    6.556800       1.388700       1.156400    
 H    6.021100      0.2552000       2.420500    
 H   -4.521900      -2.690400      0.9774000    
 H   -6.542300       1.276700     -0.4398000    
 H   -6.206200       1.658700       1.267500    


%chk=000017133-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017133

1 1
O 4.605873 1.074298 1.738705
O 5.858907 -0.357296 0.288114
O -4.712248 1.588166 -0.103843
O -5.907060 -0.344997 0.684310
N -0.405570 1.516987 -0.877631
C 1.840834 0.380026 -0.809686
C 2.405949 -1.019134 -1.229855
C 0.324344 0.338327 -0.656229
C -0.336314 -0.819142 -0.186745
C 2.472768 0.934250 0.484881
C 1.738929 -2.140927 -0.443450
C 3.930259 -1.099871 -1.085586
C -1.762468 -0.799359 0.061256
C 0.469496 -2.026721 0.040265
C -2.460871 0.459810 -0.184495
C 3.766144 0.600417 0.720582
C 4.514063 -0.344628 -0.122387
C -1.748566 1.581900 -0.655447
C -3.854575 0.493808 0.062016
C 0.277849 2.743539 -1.397107
C -2.506229 -1.928322 0.523229
C -4.544298 -0.631085 0.519408
C 5.959958 0.509926 1.485743
C -3.893243 -1.859649 0.756721
C -6.073918 1.088346 0.302208
H 2.108290 1.066600 -1.639990
H 2.148492 -1.170218 -2.300675
H 1.917726 1.619528 1.131624
H 2.309425 -3.064916 -0.293432
H 4.486818 -1.836348 -1.670275
H 0.024345 -2.862212 0.586246
H -2.252184 2.528500 -0.858202
H 1.155391 2.984154 -0.779126
H 0.592098 2.587544 -2.441796
H -0.427252 3.585694 -1.357046
H -2.004005 -2.881435 0.697863
H 6.657545 1.336391 1.276062
H 6.256461 -0.102470 2.352074
H -4.455006 -2.728003 1.109258
H -6.748889 1.157651 -0.564860
H -6.413171 1.661570 1.179099


