%chk=000058825.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058825

0 1
 O   0.7192000     -0.1631000     -4.4000000E-02
 O   0.1123000       1.543100      -1.466000    
 O   -1.116000      0.9482000       1.553400    
 N    4.037900      0.9946000      0.1752000    
 C    2.850200      -1.311200      1.6200000E-02
 C    2.007100     -0.2071000     -0.6469000    
 C    3.108600     -0.9208000       1.482000    
 C    4.208200      -1.342800     -0.6992000    
 C    2.720800       1.147000     -0.4855000    
 C    3.824300      0.4386000       1.528900    
 C    4.862300      4.5899998E-02 -0.6059000    
 C  -0.1502000      0.7705000     -0.5519000    
 C   -1.490200      0.7140000      0.1912000    
 C   -2.166700     -0.6490000      6.6500001E-02
 C   -2.407200       1.805600     -0.3280000    
 C   -1.990800      -1.371700      -1.093100    
 C   -2.929000      -1.108800       1.117800    
 C   -2.879100       2.853200      0.3665000    
 C   -2.608700      -2.617100      -1.207200    
 C   -3.546700      -2.354200       1.003700    
 C   -3.386500      -3.108400     -0.1588000    
 C   -3.779800       3.893400     -0.2149000    
 H    2.344300      -2.281100     -3.1800002E-02
 H    1.884300     -0.4488000      -1.711300    
 H    3.726900      -1.684000       1.969500    
 H    2.164900     -0.8680000       2.037200    
 H    4.076400      -1.624900      -1.750400    
 H    4.859300      -2.095500     -0.2389000    
 H    2.874400       1.602500      -1.472200    
 H    2.132700       1.871000      9.1399997E-02
 H    3.243000       1.146200       2.133300    
 H    4.788100      0.3367000       2.043400    
 H    5.857200     -4.0300000E-02 -0.1515000    
 H    5.033600      0.4473000      -1.612600    
 H   -2.703200       1.715700      -1.373300    
 H  -0.6508000      0.1610000       1.885800    
 H   -1.406100      -1.005500      -1.930700    
 H   -3.076900     -0.5321000       2.025400    
 H   -2.610400       2.981200       1.410900    
 H   -2.487600      -3.202600      -2.114000    
 H   -4.155100      -2.735600       1.818500    
 H   -3.868800      -4.077300     -0.2483000    
 H   -4.009700       3.703900      -1.268100    
 H   -4.722500       3.921300      0.3401000    
 H   -3.307600       4.877800     -0.1408000    


%chk=000058825-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058825

0 1
O 0.840484 -0.115562 0.116285
O -0.149995 0.437370 -1.921828
O -1.196465 0.518911 1.579948
N 4.140366 1.206996 -0.049137
C 3.063243 -1.127659 0.369507
C 2.172031 -0.286484 -0.564852
C 3.279771 -0.391127 1.720324
C 4.436269 -1.292632 -0.344914
C 2.859660 1.102370 -0.801190
C 3.875564 1.032084 1.413835
C 5.075764 0.136957 -0.515617
C -0.235239 0.261995 -0.687228
C -1.529352 0.393080 0.163728
C -2.411844 -0.864999 -0.089029
C -2.283173 1.646795 -0.281273
C -2.679128 -1.326783 -1.402659
C -3.005718 -1.521682 1.014937
C -2.584918 2.676894 0.544310
C -3.523708 -2.441366 -1.604013
C -3.850638 -2.635317 0.809232
C -4.112530 -3.100361 -0.500036
C -3.357334 3.907139 0.127397
H 2.596830 -2.114009 0.538362
H 1.973059 -0.809333 -1.517719
H 3.971632 -0.986585 2.344857
H 2.326372 -0.313192 2.271785
H 4.300525 -1.788195 -1.325514
H 5.083365 -1.950216 0.264430
H 3.062218 1.254321 -1.875316
H 2.185664 1.912049 -0.468546
H 3.177512 1.829861 1.724198
H 4.826463 1.193276 1.952235
H 6.007986 0.227669 0.069600
H 5.325965 0.337665 -1.572890
H -2.586332 1.646672 -1.335671
H -0.330874 0.053497 1.724019
H -2.221398 -0.826654 -2.263636
H -2.802890 -1.143513 2.021166
H -2.252859 2.612659 1.588658
H -3.720853 -2.794288 -2.622697
H -4.306649 -3.136770 1.670713
H -4.768046 -3.964201 -0.658393
H -3.638272 3.873482 -0.939950
H -4.283987 4.012756 0.724819
H -2.762143 4.825226 0.299362


