%chk=000029504.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029504

0 1
 O    5.423700     -0.3315000      0.1501000    
 O    5.511400       1.839300     -0.5615000    
 O   -5.277500      -2.771300     -1.8500000E-02
 O   -6.738300     -0.4222000     -0.2821000    
 N   0.7823000      0.9723000      0.3548000    
 N    3.597300       1.030400      0.4758000    
 N   -1.234100     -0.2680000      0.2309000    
 N   -1.262100       2.137900      9.9600002E-02
 N   -3.290500       3.303100     -0.1545000    
 C    1.520400     -0.2911000      0.4918000    
 C    1.510200       2.076500     -0.2916000    
 C    2.876300     -4.7400001E-02   1.153100    
 C    2.862600       2.287900      0.3847000    
 C  -0.6109000      0.9488000      0.2245000    
 C    4.896400      0.9208000     -2.2800000E-02
 C    7.201400      -1.968600     -7.1699999E-02
 C    6.756200     -0.5279000     -0.3369000    
 C   -2.572600     -0.2982000      0.1056000    
 C   -3.323100      0.8813000     -2.8500000E-02
 C   -2.601100       2.071700     -2.3700001E-02
 C    8.653700      -2.165200     -0.5009000    
 C    6.294900      -2.972700     -0.7870000    
 C   -3.260100      -1.509500      0.1052000    
 C   -4.722100      0.8376000     -0.1586000    
 C   -4.651300      -1.561400     -2.3700001E-02
 C   -5.383300     -0.3867000     -0.1558000    
 C   -5.695200      -3.279300       1.247000    
 C   -7.264900     -0.5068000      -1.605200    
 H   0.9728000      -1.009900       1.112800    
 H    1.658400     -0.7374000     -0.5008000    
 H    1.652000       1.836400      -1.352800    
 H   0.9623000       3.023800     -0.2358000    
 H    3.454500     -0.9753000       1.164500    
 H    2.739600      0.2666000       2.195100    
 H    2.724600       2.655900       1.408600    
 H    3.441300       3.039300     -0.1618000    
 H    7.122000      -2.164900       1.005200    
 H    6.782900     -0.3131000      -1.412300    
 H    7.427300      0.1682000      0.1809000    
 H    8.779100      -1.987500      -1.574400    
 H    9.314500      -1.476700      3.6200002E-02
 H    8.988500      -3.185400     -0.2853000    
 H    5.259200      -2.886600     -0.4422000    
 H    6.305800      -2.814700      -1.870800    
 H    6.623500      -3.999100     -0.5916000    
 H   -2.703000      -2.439700      0.2068000    
 H   -5.320200       1.739800     -0.2538000    
 H   -4.095700       3.342500     -0.7665000    
 H   -2.713200       4.135400     -0.1160000    
 H   -4.832500      -3.427800       1.904300    
 H   -6.181800      -4.244900       1.084800    
 H   -6.413500      -2.600100       1.717000    
 H   -8.356000     -0.5322000      -1.538700    
 H   -6.922800      -1.422300      -2.098200    
 H   -6.970000      0.3690000      -2.191800    


%chk=000029504-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029504

0 1
O 5.403143 -0.458160 0.261949
O 5.554011 1.888133 0.202294
O -5.358748 -2.745752 0.223635
O -6.829276 -0.226092 0.268142
N 0.813012 0.841199 -0.637222
N 3.474604 0.803186 0.334045
N -1.202919 -0.337962 -0.347353
N -1.155386 2.111512 -0.398913
N -3.057993 3.419745 -0.176705
C 1.573743 -0.419531 -0.688699
C 1.626052 2.065770 -0.734191
C 2.662723 -0.430121 0.409857
C 2.712854 2.069346 0.364962
C -0.561993 0.856584 -0.454541
C 4.852126 0.839655 0.261803
C 7.300055 -1.984104 0.124239
C 6.888825 -0.506963 0.206252
C -2.576377 -0.285943 -0.185983
C -3.306647 0.960775 -0.126691
C -2.494290 2.163606 -0.235799
C 8.839880 -2.088345 0.244648
C 6.792002 -2.644121 -1.177518
C -3.305529 -1.508408 -0.050388
C -4.723631 0.944609 0.012054
C -4.691345 -1.505505 0.118116
C -5.420810 -0.261595 0.117921
C -6.083435 -2.958126 1.499599
C -7.577714 -0.817222 -0.867393
H 0.864531 -1.249896 -0.549479
H 2.056317 -0.515034 -1.683243
H 2.114492 2.105243 -1.729620
H 0.957172 2.932549 -0.627370
H 3.323491 -1.300856 0.293732
H 2.172776 -0.484031 1.403536
H 2.230284 2.183143 1.356940
H 3.423292 2.898491 0.216745
H 6.842502 -2.506918 0.988407
H 7.234442 0.064314 -0.676273
H 7.290352 -0.018799 1.113868
H 9.338757 -1.547883 -0.582761
H 9.205508 -1.664294 1.198514
H 9.161072 -3.144453 0.196398
H 5.696304 -2.546794 -1.269285
H 7.254721 -2.166168 -2.062842
H 7.048872 -3.719091 -1.199889
H -2.761662 -2.456143 -0.066576
H -5.322228 1.862765 0.024841
H -4.051623 3.562284 -0.028271
H -2.438596 4.222766 -0.263141
H -5.362264 -3.003155 2.337401
H -6.589734 -3.928919 1.388646
H -6.818259 -2.152730 1.676745
H -8.639724 -0.751858 -0.585322
H -7.283100 -1.869900 -1.027621
H -7.395332 -0.231704 -1.788704


