%chk=000025272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025272

0 1
 O   -2.193200       1.651400     -0.8517000    
 O   -3.189000      -1.369300      -2.039000    
 N   0.5573000       1.465300     -0.1637000    
 C    1.970600       1.350800     -0.5355000    
 C    2.582400      0.1117000      0.1432000    
 C  -2.8400000E-02   2.663000     -0.7420000    
 C    2.063300       1.289200      -2.060300    
 C    4.086200      0.1706000      0.2666000    
 C   -1.493600       2.784800     -0.3548000    
 C    4.871800     -0.3384000     -0.7552000    
 C    4.653200      0.7329000       1.399200    
 C   -3.273800       1.224700     -0.1249000    
 C    6.260900     -0.2840000     -0.6415000    
 C    6.042400      0.7875000       1.512800    
 C   -3.633700     -0.1189000     -0.1130000    
 C    6.846200      0.2790000      0.4924000    
 C   -4.004600       2.158600      0.6028000    
 C   -2.877700      -1.108000     -0.8686000    
 C   -4.736100     -0.5332000      0.6345000    
 C   -1.714900      -1.841000     -0.2854000    
 C   -5.106900       1.744200       1.350400    
 C   -5.472600      0.3984000       1.366200    
 C   -1.349100      -1.569300       1.012800    
 C   -1.055200      -2.759600      -1.069000    
 C  -0.2631000      -2.254100       1.557800    
 C   3.0900000E-02  -3.444400     -0.5239000    
 C   0.4269000      -3.191700      0.7896000    
 H    2.505800       2.243100     -0.1838000    
 H    2.287100     -0.8030000     -0.3880000    
 H    2.174100     -3.5999999E-03   1.157400    
 H   0.4697000       1.495500      0.8518000    
 H  -1.7200001E-02   2.628800      -1.835200    
 H   0.5065000       3.561400     -0.4131000    
 H    1.868400       2.256500      -2.534100    
 H    1.378800      0.5437000      -2.481500    
 H    3.072300       1.016800      -2.382700    
 H   -1.917500       3.691500     -0.8018000    
 H   -1.547600       2.863900      0.7395000    
 H    4.428500     -0.7899000      -1.637900    
 H    4.036000       1.133900       2.198000    
 H    6.886800     -0.6823000      -1.434700    
 H    6.498300       1.226400       2.395500    
 H    7.927900      0.3210000      0.5812000    
 H   -3.777300       3.220100      0.5931000    
 H   -5.031400      -1.579200      0.6546000    
 H   -5.685500       2.470300       1.914200    
 H   -6.332000      7.5999998E-02   1.946900    
 H   -1.858900     -0.8465000       1.640200    
 H   -1.344200      -2.972600      -2.093300    
 H   4.7100000E-02  -2.056000       2.579700    
 H   0.5693000      -4.173600      -1.122100    
 H    1.273600      -3.723500       1.213400    


%chk=000025272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025272

0 1
O -2.130300 1.206864 -0.241739
O -4.049117 -1.860321 -1.877988
N 0.835680 1.698559 0.303747
C 2.205043 1.431581 -0.207822
C 2.990322 0.721242 0.936591
C -0.075538 2.460767 -0.565467
C 2.157973 0.564942 -1.483170
C 4.473442 0.550994 0.649906
C -1.494713 2.512943 0.003765
C 5.007732 -0.705460 0.265247
C 5.358329 1.657761 0.743941
C -3.438004 1.011722 0.215196
C 6.384782 -0.855061 -0.018975
C 6.734772 1.514893 0.460861
C -4.049319 -0.234586 -0.123235
C 7.253771 0.255929 0.076994
C -4.170948 1.993390 0.931797
C -3.385213 -1.319207 -0.936894
C -5.405542 -0.440713 0.234507
C -2.015827 -1.829345 -0.599012
C -5.507713 1.741307 1.308499
C -6.134757 0.524779 0.958375
C -1.410934 -1.607143 0.664853
C -1.346417 -2.637822 -1.557959
C -0.165308 -2.194353 0.969919
C -0.095299 -3.211127 -1.259247
C 0.495898 -2.996133 0.010533
H 2.747835 2.382472 -0.450598
H 2.505970 -0.256668 1.115019
H 2.862415 1.322667 1.861810
H 0.867854 2.096275 1.254037
H -0.128185 1.973664 -1.554260
H 0.258681 3.516878 -0.741238
H 1.728148 1.112835 -2.340632
H 1.541510 -0.333466 -1.300432
H 3.177962 0.254069 -1.768359
H -2.083035 3.304317 -0.505222
H -1.477112 2.728939 1.093424
H 4.338272 -1.571427 0.190197
H 4.965730 2.636045 1.050271
H 6.778518 -1.835080 -0.312014
H 7.402679 2.380153 0.542929
H 8.321735 0.142277 -0.140508
H -3.716187 2.954704 1.185934
H -5.874857 -1.380746 -0.073781
H -6.060882 2.506126 1.865310
H -7.175517 0.334875 1.238606
H -1.919204 -0.985787 1.408510
H -1.835732 -2.810241 -2.522298
H 0.290219 -2.026161 1.952037
H 0.416432 -3.829732 -2.004848
H 1.462757 -3.454490 0.249982


