%chk=000063423.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063423

0 1
 O   -1.024800      -2.919000      0.1949000    
 O    3.228300       1.217300      -1.496700    
 O   -6.152700      0.7105000     -0.2525000    
 N    1.581700      0.2616000     -0.1211000    
 N  -0.7331000     -0.5966000      0.1289000    
 N    3.342500       3.408900     -0.1133000    
 C   0.2229000      0.4774000      0.3889000    
 C    2.071400      -1.079200     -1.5000000E-02
 C    1.170600      -2.140500      0.1656000    
 C  -0.3000000      -1.927100      0.1577000    
 C    2.366900       1.315800     -0.6194000    
 C   -2.133500     -0.2595000      3.0300001E-02
 C    2.094800       2.683600     -3.3900000E-02
 C    3.445900      -1.376300     -3.7200000E-02
 C    1.642400      -3.458700      0.2997000    
 C    3.908300      -2.688100      9.7300000E-02
 C    3.007000      -3.729500      0.2640000    
 C   -3.005400      -1.113900     -0.6377000    
 C   -2.601900      0.9187000      0.6042000    
 C   -4.358100     -0.7872000     -0.7330000    
 C   -3.954500       1.245400      0.5089000    
 C    4.398700       2.727800      0.6464000    
 C    3.186100       4.784400      0.3768000    
 C   -4.832600      0.3926000     -0.1598000    
 C   -6.571000       1.931500      0.3559000    
 H  -0.1449000       1.399900     -7.0799999E-02
 H   0.2982000      0.6166000       1.474600    
 H    1.736600       2.604200      0.9987000    
 H    1.320800       3.160500     -0.6456000    
 H    4.192800     -0.5942000     -0.1355000    
 H   0.9593000      -4.294400      0.4299000    
 H    4.975400      -2.890200      7.8299999E-02
 H   -2.674900      -2.012300      -1.147700    
 H   -1.958800       1.596100       1.157900    
 H    3.363700      -4.749500      0.3691000    
 H   -5.035700      -1.449100      -1.265600    
 H   -4.257600       2.173200      0.9820000    
 H    4.708000       1.767300      0.2280000    
 H    4.110700       2.570900       1.693100    
 H    5.310100       3.338600      0.6450000    
 H    2.896700       4.814700       1.433500    
 H    2.423300       5.312900     -0.2059000    
 H    4.119100       5.345700      0.2549000    
 H   -6.095000       2.799000     -0.1139000    
 H   -6.420800       1.912500       1.440700    
 H   -7.648100       2.025900      0.1840000    


%chk=000063423-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063423

0 1
O -1.038511 -2.912431 -0.571612
O 3.684943 0.827155 -0.556879
O -5.557690 1.603358 -0.578643
N 1.847871 -0.170865 0.480667
N -0.499131 -0.807958 0.339290
N 2.665552 3.450695 -0.299476
C 0.528543 -0.095990 1.135331
C 2.280429 -1.528221 0.287955
C 1.253050 -2.506012 0.117144
C -0.186365 -2.123804 -0.061656
C 2.566555 0.954934 0.007886
C -1.794154 -0.210607 0.143294
C 1.898387 2.330260 0.247201
C 3.640241 -1.923359 0.287948
C 1.602949 -3.871613 -0.018382
C 3.965076 -3.289604 0.155329
C 2.952299 -4.269289 0.009836
C -2.521201 -0.432704 -1.059319
C -2.354005 0.628762 1.135932
C -3.765690 0.182990 -1.257301
C -3.601299 1.263157 0.936363
C 3.944950 3.702591 0.394339
C 1.844780 4.668858 -0.441222
C -4.312315 1.038705 -0.266427
C -6.176044 2.472594 0.424588
H 0.215848 0.946568 1.255354
H 0.617971 -0.559691 2.138982
H 1.707361 2.441541 1.352418
H 0.906418 2.324057 -0.246132
H 4.423828 -1.171512 0.382055
H 0.792340 -4.590767 -0.173534
H 5.018701 -3.589688 0.167582
H -2.114729 -1.098510 -1.822755
H -1.841725 0.775061 2.093820
H 3.218054 -5.326312 -0.092629
H -4.333926 0.018131 -2.177468
H -4.005279 1.904325 1.725060
H 4.571553 2.799463 0.345872
H 3.807941 4.000650 1.466254
H 4.481545 4.517844 -0.121596
H 1.493082 5.092672 0.534855
H 0.957470 4.457796 -1.065028
H 2.438925 5.447681 -0.950631
H -5.545510 3.358950 0.634305
H -6.371741 1.924486 1.366971
H -7.128546 2.793854 -0.021345


