%chk=000048464.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048464

0 1
 O    2.336200       1.973100     -0.9900000    
 O   0.1450000     -0.7857000       2.114400    
 O    3.359300      -2.489500     -0.6826000    
 N    2.775400     -0.2767000     -0.9021000    
 N    1.680500      -1.655000      0.6482000    
 C   0.7547000      0.5723000      0.2002000    
 C  -0.3662000      0.3125000     -0.8221000    
 C   -1.720000      1.8300001E-02 -0.1477000    
 C   0.3968000       1.805100       1.043100    
 C   -2.866300     -0.1785000      -1.147600    
 C  -0.5029000       1.516900      -1.756900    
 C    2.027500      0.8497000     -0.5934000    
 C   0.8314000     -0.6563000       1.100900    
 C   -4.214900     -0.4975000     -0.4738000    
 C    1.522200       2.159100       1.988900    
 C   -4.088300      -1.773200      0.3628000    
 C   -4.713500      0.6497000      0.4059000    
 C    2.643200      -1.544300     -0.3479000    
 H  -0.1038000     -0.5564000      -1.442200    
 H   -1.626800     -0.8934000      0.4457000    
 H   -1.997600      0.8299000      0.5277000    
 H  -0.4948000       1.645800       1.658000    
 H   0.2090000       2.694400      0.4337000    
 H   -3.014700      0.7245000      -1.749100    
 H   -2.607800     -0.9869000      -1.842900    
 H   0.4245000       1.828600      -2.237600    
 H  -0.9647000       2.384700      -1.277000    
 H   -1.147400       1.256800      -2.605000    
 H   -4.952500     -0.6715000      -1.267200    
 H    1.777600       1.333800       2.660400    
 H    2.434000       2.471700       1.472900    
 H    1.216900       3.001000       2.621000    
 H    3.552800     -0.1439000      -1.543100    
 H    1.650800      -2.538100       1.150000    
 H   -5.082100      -2.112800      0.6762000    
 H   -3.632800      -2.583500     -0.2160000    
 H   -3.502800      -1.622700       1.275200    
 H   -4.087600      0.7995000       1.291000    
 H   -5.730000      0.4422000      0.7579000    
 H   -4.742400       1.588200     -0.1575000    


%chk=000048464-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048464

0 1
O 2.399118 2.160471 -0.850210
O 0.319327 -1.069907 1.979281
O 3.355408 -2.359902 -1.289136
N 2.751270 -0.102911 -1.147914
N 1.750394 -1.693075 0.277677
C 0.799949 0.624971 0.242841
C -0.416974 0.446737 -0.814741
C -1.780191 0.225059 -0.097882
C 0.509138 1.737503 1.285716
C -2.789567 -0.531220 -0.997598
C -0.501835 1.627974 -1.812092
C 2.042473 0.984103 -0.588173
C 0.939387 -0.741660 0.934922
C -4.212377 -0.710808 -0.391663
C 1.640009 1.948916 2.315834
C -4.196772 -1.543855 0.913242
C -4.937121 0.640786 -0.177354
C 2.658945 -1.453523 -0.768715
H -0.185321 -0.472243 -1.395715
H -1.637023 -0.346924 0.836242
H -2.195995 1.210595 0.186671
H -0.418888 1.470019 1.818139
H 0.332707 2.680972 0.740203
H -2.890416 -0.007088 -1.970278
H -2.374170 -1.535907 -1.224776
H 0.373871 1.688848 -2.479716
H -0.592658 2.595624 -1.288399
H -1.397224 1.502822 -2.446268
H -4.796535 -1.283033 -1.143983
H 1.823072 1.033260 2.906043
H 2.580532 2.257831 1.826895
H 1.358082 2.747470 3.025151
H 3.494931 0.121108 -1.817287
H 1.744862 -2.647500 0.652103
H -5.227191 -1.754512 1.255077
H -3.682915 -2.512390 0.766091
H -3.679105 -1.007987 1.730220
H -4.449070 1.240071 0.613800
H -5.985819 0.476785 0.132833
H -4.948409 1.244422 -1.104681


