%chk=000042851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042851

0 1
 O  -8.1500001E-02 -0.6800000      1.2600000E-02
 O   -1.065000      -2.761100     -2.0700000E-02
 N   -6.061700       1.295900     -9.8000001E-03
 C    4.721100      0.3788000      8.7099999E-02
 C    6.163500     -0.1347000      5.3900000E-02
 C    3.676200     -0.7375000      2.3399999E-02
 C    7.207800      0.9838000      4.3299999E-02
 C    2.258000     -0.1688000      3.6100000E-02
 C    8.624400      0.4169000     -6.3299999E-02
 C    1.209900      -1.272600      1.4600000E-02
 C    9.665100       1.524200     -0.1129000    
 C   -1.135900      -1.541900     -6.0999999E-03
 C   -2.422400     -0.8009000     -7.7000000E-03
 C   -4.839700      0.5917000     -9.9999998E-03
 C   -2.423900      0.5939000      1.0300000E-02
 C   -3.629800      -1.499400     -2.6699999E-02
 C   -3.632500       1.290200      9.2000002E-03
 C   -4.838400     -0.8031000     -2.7799999E-02
 C   -7.321600      0.5796000     -2.8200001E-02
 C   -6.073700       2.744900      2.2700001E-02
 H    4.571700      0.9665000       1.001200    
 H    4.566600       1.062500     -0.7572000    
 H    6.296300     -0.7582000     -0.8391000    
 H    6.334500     -0.7843000      0.9212000    
 H    3.812700      -1.412500      0.8767000    
 H    3.827000      -1.330800     -0.8865000    
 H    7.016400       1.653600     -0.8038000    
 H    7.114100       1.582600      0.9571000    
 H    2.106900      0.4940000     -0.8251000    
 H    2.106400      0.4559000      0.9254000    
 H    8.830000     -0.2340000      0.7944000    
 H    8.713400     -0.1980000     -0.9664000    
 H    1.317900      -1.909900      0.9002000    
 H    1.330500      -1.886500     -0.8858000    
 H    9.624100       2.141500      0.7903000    
 H    10.67000       1.097000     -0.1872000    
 H    9.506800       2.173000     -0.9803000    
 H   -1.507500       1.177000      2.5599999E-02
 H   -3.649500      -2.585900     -4.0700000E-02
 H   -3.580900       2.374400      2.3600001E-02
 H   -5.750200      -1.391900     -4.2500000E-02
 H   -8.176800       1.264700     -3.0400001E-02
 H   -7.430700     -5.2099999E-02  0.8603000    
 H   -7.414400     -3.5500001E-02 -0.9303000    
 H   -7.095200       3.141500      2.2299999E-02
 H   -5.577100       3.164900     -0.8591000    
 H   -5.592900       3.124600      0.9312000    


%chk=000042851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042851

0 1
O -0.075907 -0.566290 -0.042729
O -1.050060 -2.683972 0.085400
N -6.255295 1.263621 0.008268
C 4.834741 0.393622 0.028878
C 6.271699 -0.165186 -0.075615
C 3.746797 -0.697839 -0.082330
C 7.362007 0.921744 0.057037
C 2.312115 -0.124383 -0.011751
C 8.799345 0.364255 -0.057870
C 1.256277 -1.229091 -0.063202
C 9.882574 1.455938 0.079699
C -1.183486 -1.431411 0.028797
C -2.468270 -0.700394 0.027280
C -5.017309 0.621804 0.016890
C -2.551922 0.715300 -0.061729
C -3.675982 -1.444290 0.113109
C -3.793605 1.366904 -0.068095
C -4.923733 -0.807516 0.110078
C -7.494301 0.478466 0.098257
C -6.328055 2.727629 -0.095847
H 4.718169 0.928854 0.994284
H 4.677454 1.151147 -0.767241
H 6.391921 -0.687750 -1.047794
H 6.424068 -0.934235 0.710627
H 3.891340 -1.440754 0.729856
H 3.878635 -1.249964 -1.036142
H 7.207356 1.695508 -0.724222
H 7.248111 1.439348 1.032679
H 2.146389 0.576737 -0.852643
H 2.183638 0.456426 0.922206
H 8.952236 -0.410504 0.721187
H 8.912898 -0.150793 -1.033752
H 1.326449 -1.915993 0.800917
H 1.333562 -1.835626 -0.985786
H 9.808187 1.965938 1.058825
H 10.900047 1.031455 -0.003996
H 9.771535 2.225652 -0.707511
H -1.627650 1.296790 -0.127176
H -3.609202 -2.535612 0.181158
H -3.816890 2.457651 -0.139111
H -5.828809 -1.416881 0.178401
H -8.360574 1.157941 0.079405
H -7.541348 -0.107687 1.038081
H -7.596032 -0.227790 -0.750363
H -7.383107 3.042791 -0.091996
H -5.865544 3.096095 -1.033720
H -5.820465 3.226346 0.754401


