%chk=000048799.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048799

0 1
 O    1.635100      -1.816700      -1.617100    
 O   0.4399000       1.025300       2.068500    
 O    4.007000       1.981100     -0.6441000    
 N    2.794100      8.7800004E-02  -1.105300    
 N    2.212900       1.472700      0.6941000    
 C   0.8347000     -0.5203000      0.2557000    
 C   0.7907000      -1.739600       1.186700    
 C  -0.5087000     -0.2779000     -0.3735000    
 C    1.775300     -0.8255000     -0.8977000    
 C    1.129800      0.7111000       1.096400    
 C   -1.621800     -0.9919000     -0.1201000    
 C   -2.989400     -0.8020000     -0.7126000    
 C    2.158700      -2.033900       1.763300    
 C  -0.5380000      0.8562000      -1.363000    
 C   -3.857900      9.2399999E-02  0.1735000    
 C    3.067400       1.231900     -0.3711000    
 C   -5.238100      0.3144000     -0.4456000    
 C   -6.091700       1.234900      0.4121000    
 H   0.4634000      -2.643400      0.6556000    
 H   0.1035000      -1.584200       2.028900    
 H   -1.603100      -1.801300      0.6036000    
 H   -2.935500     -0.4046000      -1.731600    
 H   -3.459300      -1.788900     -0.8116000    
 H    2.095100      -2.892100       2.441500    
 H    2.889900      -2.291700      0.9912000    
 H    2.552200      -1.194100       2.344200    
 H  -3.5900000E-02   1.748600     -0.9779000    
 H  -5.2800000E-02  0.5679000      -2.301200    
 H   -1.548600       1.190300      -1.612600    
 H   -3.968700     -0.3618000       1.166300    
 H   -3.365800       1.062400      0.3193000    
 H    3.418100     -0.1054000      -1.883700    
 H    2.407000       2.303800       1.245800    
 H   -5.751100     -0.6469000     -0.5654000    
 H   -5.132300      0.7530000      -1.444700    
 H   -7.074200       1.378700     -4.8200000E-02
 H   -5.621200       2.217200      0.5219000    
 H   -6.242600      0.8123000       1.410500    


%chk=000048799-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048799

0 1
O 1.689234 -2.064167 -1.470460
O 0.736927 1.242719 1.985910
O 4.372791 1.675435 -0.867805
N 2.967383 -0.170319 -1.156498
N 2.506794 1.430665 0.518911
C 0.868400 -0.474331 0.223310
C 0.694422 -1.621279 1.271429
C -0.449848 -0.079924 -0.520082
C 1.854582 -0.981073 -0.855762
C 1.346538 0.782877 0.988284
C -1.628489 -0.697620 -0.235524
C -2.988180 -0.430697 -0.844039
C 2.001252 -2.002322 1.999604
C -0.282523 1.020160 -1.556164
C -4.011439 0.087688 0.205169
C 3.351647 1.027165 -0.529352
C -5.428654 0.267189 -0.385060
C -6.445836 0.792597 0.650621
H 0.298001 -2.501767 0.736487
H -0.054622 -1.285686 2.009568
H -1.638830 -1.478900 0.535270
H -2.932312 0.287241 -1.682437
H -3.378798 -1.378735 -1.270979
H 1.804638 -2.817106 2.718508
H 2.774008 -2.364579 1.296939
H 2.415991 -1.152625 2.572564
H 0.133057 1.943692 -1.107931
H 0.403953 0.712815 -2.369239
H -1.240901 1.289665 -2.024768
H -4.055411 -0.620395 1.058274
H -3.652699 1.051211 0.618721
H 3.593063 -0.500957 -1.899004
H 2.792603 2.282804 1.013152
H -5.779263 -0.703157 -0.792683
H -5.380025 0.966218 -1.244948
H -7.450798 0.912208 0.205861
H -6.133031 1.775755 1.049708
H -6.535526 0.097335 1.506544


