%chk=000059964.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059964

0 1
 O    2.121800     -0.2449000      0.4237000    
 O   -2.316100      -1.753500       1.020000    
 O    2.522100      -2.300500     -0.4952000    
 N    5.480100       2.222100     -0.3294000    
 N   0.4047000      -1.696700      0.3114000    
 C    3.480900      0.1074000      0.1986000    
 C    3.633200      0.7409000      -1.182100    
 C    3.929500       1.077100       1.287900    
 C    5.043600       1.297400      -1.384600    
 C    5.330300       1.621800       1.003000    
 C    4.820600       3.522300     -0.4270000    
 C    5.397800       4.507100      0.5756000    
 C    1.752900      -1.502400      2.6000001E-02
 C   -4.617400       2.523900      0.2488000    
 C   -4.603800       1.025300     -6.0699999E-02
 C   -5.763200       3.276100     -0.4342000    
 C   -3.457000      0.3215000      0.6633000    
 C   -5.821000       4.759500     -6.6799998E-02
 C   -3.408700      -1.162800      0.3296000    
 C  -0.3808000      -2.827500      7.5800002E-02
 C   -1.729400      -2.843700      0.4318000    
 C   -7.016200       5.444100     -0.7127000    
 C   0.1962000      -3.948000     -0.5219000    
 C   -2.500900      -3.980500      0.1900000    
 C  -0.5754000      -5.084800     -0.7635000    
 C   -1.923700      -5.101000     -0.4076000    
 H    4.129400     -0.7768000      0.2673000    
 H    3.416000     -2.6000000E-03  -1.958500    
 H    2.882900       1.530000      -1.316600    
 H    3.207500       1.897800       1.383500    
 H    3.919200      0.5651000       2.258200    
 H    5.114000       1.779900      -2.367100    
 H    5.752300      0.4596000      -1.421000    
 H    6.038500      0.7838000       1.064900    
 H    5.646800       2.291400       1.808300    
 H    3.734800       3.460900     -0.2941000    
 H    4.995100       3.934200      -1.428800    
 H    5.052800       4.315900       1.596200    
 H    6.493100       4.505000      0.5635000    
 H    5.071300       5.521700      0.3205000    
 H   -3.663300       2.968700     -5.9999999E-02
 H   -4.695600       2.664800       1.334100    
 H   -4.505000      0.8787000      -1.142900    
 H   -5.558800      0.5786000      0.2410000    
 H   -6.713000       2.801000     -0.1581000    
 H   -5.663400       3.173700      -1.521900    
 H   -2.498600      0.7831000      0.3940000    
 H   -3.556700      0.4485000       1.748500    
 H   -4.898500       5.256900     -0.3875000    
 H   -5.889000       4.870400       1.021500    
 H  -7.2999999E-02 -0.9121000      0.7488000    
 H   -3.300200      -1.291200     -0.7553000    
 H   -4.336500      -1.651200      0.6488000    
 H   -6.965400       5.374500      -1.803900    
 H   -7.038000       6.504000     -0.4404000    
 H   -7.955300       4.989100     -0.3821000    
 H    1.231100      -4.014600     -0.8263000    
 H   -3.550500      -4.011900      0.4695000    
 H  -0.1271000      -5.958300      -1.228300    
 H   -2.523900      -5.986900     -0.5939000    


%chk=000059964-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059964

0 1
O 2.281598 -0.192608 0.237822
O -2.012950 -1.203673 -0.254917
O 2.761784 -2.501398 0.076847
N 6.007039 1.987100 0.148918
N 0.567076 -1.618891 -0.086116
C 3.733764 0.102141 0.454604
C 4.469421 0.235642 -0.889187
C 3.792200 1.402998 1.265408
C 5.929063 0.722130 -0.624018
C 5.278507 1.847822 1.434580
C 5.681013 3.205346 -0.637239
C 6.226587 4.491656 0.011979
C 1.938461 -1.549081 0.069978
C -5.121836 2.680120 0.001065
C -5.021040 1.143905 -0.133349
C -6.576138 3.201292 0.037060
C -3.555283 0.651097 -0.142279
C -6.664974 4.739208 0.164936
C -3.448077 -0.868101 -0.287858
C -0.226328 -2.778271 -0.257928
C -1.636567 -2.559070 -0.348488
C -8.118287 5.258341 0.212916
C 0.276327 -4.097111 -0.337144
C -2.523686 -3.640031 -0.513694
C -0.618821 -5.179823 -0.504060
C -2.009179 -4.957484 -0.591773
H 4.163386 -0.743707 1.027489
H 4.479869 -0.736867 -1.414091
H 3.935276 0.966103 -1.526652
H 3.215678 2.186006 0.736713
H 3.322295 1.256865 2.255800
H 6.464417 0.853426 -1.581626
H 6.469018 -0.060241 -0.052364
H 5.813593 1.093378 2.046277
H 5.326505 2.800926 1.988627
H 4.585275 3.327208 -0.826660
H 6.155472 3.080818 -1.629665
H 5.737401 4.708635 0.979026
H 7.311507 4.394337 0.190621
H 6.050416 5.359882 -0.650055
H -4.582796 3.156364 -0.844333
H -4.595775 3.000482 0.924530
H -5.531228 0.824164 -1.065835
H -5.570714 0.666835 0.704711
H -7.115165 2.732702 0.887047
H -7.107478 2.879807 -0.883248
H -3.002678 1.129650 -0.973860
H -3.052400 0.955322 0.796045
H -6.131713 5.206469 -0.688075
H -6.126398 5.059245 1.080360
H 0.053094 -0.733439 -0.050545
H -3.884521 -1.211003 -1.248885
H -3.964888 -1.389420 0.544588
H -8.670876 4.977249 -0.703577
H -8.152529 6.359657 0.303099
H -8.663333 4.831747 1.076191
H 1.354246 -4.255961 -0.263202
H -3.602223 -3.470767 -0.581381
H -0.221026 -6.198302 -0.563675
H -2.698281 -5.798927 -0.719759


