%chk=000045996.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045996

1 1
 O   -2.293400      6.1700001E-02  0.9755000    
 O   -2.732600      0.2134000      -1.302600    
 N    2.169400      -1.493200     -6.3400000E-02
 N   -4.427800     -0.2746000      0.2042000    
 C    1.198900     -0.3420000      0.2120000    
 C    1.690100      0.9200000      0.1855000    
 C    1.403700      -2.810600      1.7300000E-02
 C    3.288300      -1.451000      0.9736000    
 C    2.802900      -1.395100      -1.449700    
 C  -8.7700002E-02 -0.6924000      0.4621000    
 C    3.118200       1.255500     -9.5899999E-02
 C   0.7905000       1.955400      0.4387000    
 C  -0.9874000      0.3429000      0.7152000    
 C  -0.5483000       1.666800      0.7036000    
 C    3.257200       2.415600      -1.076900    
 C   -3.128400      1.5900001E-02 -0.1576000    
 C   -5.513600     -0.3886000     -0.7416000    
 H   0.6355000      -2.856700     -0.7628000    
 H    2.123600      -3.614000     -0.1845000    
 H    1.030900      -2.965500       1.035900    
 H    2.860100      -1.197400       1.949500    
 H    3.702800      -2.464200       1.039000    
 H    4.122300     -0.7994000      0.7248000    
 H    3.894700      -1.425500      -1.381000    
 H    2.493300      -2.266000      -2.039100    
 H    2.443500     -0.5117000      -1.985700    
 H  -0.5162000      -1.683500      0.4949000    
 H    3.608700       1.525800      0.8477000    
 H    3.730100      0.5012000     -0.5640000    
 H    1.101900       2.995000      0.4626000    
 H   -1.243100       2.477500      0.9063000    
 H    2.694900       2.232200      -1.999200    
 H    4.310600       2.548300      -1.348900    
 H    2.924700       3.367600     -0.6521000    
 H   -4.631900     -0.4161000       1.188700    
 H   -6.272600      0.3527000     -0.4802000    
 H   -5.940600      -1.390300     -0.6512000    
 H   -5.170100     -0.2227000      -1.765300    


%chk=000045996-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045996

1 1
O -2.426012 0.770211 0.232357
O -2.704236 -1.568828 -0.217097
N 2.050158 -1.425619 -0.251971
N -4.510415 -0.088584 0.073722
C 1.218031 -0.145067 -0.006602
C 1.836700 1.113288 0.253166
C 1.184712 -2.654885 -0.567303
C 2.843716 -1.776635 1.015881
C 2.978051 -1.244482 -1.461004
C -0.184790 -0.306093 -0.022603
C 3.321230 1.499076 0.261315
C 0.941031 2.193496 0.507664
C -1.021087 0.804200 0.226966
C -0.454485 2.067264 0.501459
C 3.729599 2.331697 -0.986328
C -3.197175 -0.434497 0.002532
C -5.594835 -1.064893 -0.110017
H 0.585198 -2.468285 -1.468988
H 1.868685 -3.498871 -0.745050
H 0.530973 -2.886810 0.284492
H 2.125319 -1.938114 1.832771
H 3.424187 -2.693997 0.829657
H 3.516743 -0.953312 1.278827
H 3.548732 -2.174730 -1.608334
H 2.353368 -1.036968 -2.342272
H 3.663668 -0.409306 -1.290846
H -0.680367 -1.254630 -0.217082
H 3.503429 2.116790 1.160844
H 4.008956 0.642831 0.358655
H 1.376693 3.175104 0.724635
H -1.106224 2.920538 0.705998
H 3.591930 1.769758 -1.928084
H 4.789550 2.632354 -0.916702
H 3.122411 3.249638 -1.063394
H -4.731763 0.890616 0.263210
H -6.227635 -0.787397 -0.970933
H -6.222759 -1.125330 0.795867
H -5.148185 -2.052527 -0.300008


