%chk=000049572.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049572

0 1
 O   0.9076000      0.7980000      5.4299999E-02
 O   0.3247000     -0.8420000      -1.464900    
 N    2.741400       3.018200      0.1977000    
 C    2.285000      0.6422000     -0.2846000    
 C    3.141900       1.644200      0.4988000    
 C    2.687400     -0.7849000      1.6000001E-02
 C    3.661700      -1.390100     -0.7591000    
 C    2.073200      -1.455000       1.060200    
 C    3.503100       3.963100       1.013700    
 C    2.927700       3.304800      -1.224200    
 C    4.032900      -2.705800     -0.4819000    
 C    2.444500      -2.770700       1.337300    
 C    3.424400      -3.396100      0.5662000    
 C   4.0899999E-02 -1.1300000E-02 -0.6167000    
 C   -1.326000      0.2936000     -0.1362000    
 C   -2.368800     -0.3830000     -0.6381000    
 C   -3.771200     -0.1787000     -0.2344000    
 C   -4.132700       1.005600      0.3872000    
 C   -4.701100      -1.175000     -0.4841000    
 C   -5.460000       1.198900      0.7695000    
 C   -6.028600     -0.9816000     -0.1018000    
 C   -6.408000      0.2055000      0.5251000    
 H    2.390700      0.7921000      -1.365900    
 H    4.208000       1.484500      0.2886000    
 H    2.993100       1.466100       1.572500    
 H    4.142600     -0.8599000      -1.575900    
 H    1.329500     -0.9861000       1.697500    
 H    3.168000       4.989900      0.8291000    
 H    4.579400       3.909900      0.8126000    
 H    3.341300       3.770200       2.080200    
 H    2.179800       2.802800      -1.845100    
 H    3.930400       3.039300      -1.578600    
 H    2.780500       4.374200      -1.419500    
 H    4.796500      -3.192500      -1.081700    
 H    1.975900      -3.306200       2.157800    
 H    3.714800      -4.419800      0.7832000    
 H   -1.418300       1.051000      0.6334000    
 H   -2.209000      -1.152200      -1.390400    
 H   -3.434300       1.814300      0.5777000    
 H   -4.420800      -2.105700     -0.9702000    
 H   -5.757200       2.125000       1.253100    
 H   -6.766900      -1.755100     -0.2920000    
 H   -7.441900      0.3565000      0.8217000    


%chk=000049572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049572

0 1
O 0.944369 -0.103153 0.199433
O 0.154577 0.331519 -1.970359
N 2.223610 2.509415 -0.312135
C 2.349099 -0.016140 -0.282566
C 2.932063 1.333040 0.216697
C 3.133239 -1.193961 0.271080
C 4.209823 -1.729271 -0.478299
C 2.848804 -1.730674 1.551364
C 2.425326 3.714927 0.514877
C 2.462770 2.753489 -1.748550
C 4.996213 -2.780967 0.043660
C 3.629946 -2.786472 2.071281
C 4.708584 -3.312434 1.321986
C -0.064937 0.167467 -0.741658
C -1.379398 0.188463 -0.071004
C -2.523079 0.398981 -0.791464
C -3.900441 0.455331 -0.283947
C -4.232751 0.305046 1.094906
C -4.958643 0.671810 -1.213325
C -5.572756 0.368980 1.521806
C -6.301091 0.735391 -0.786097
C -6.613925 0.584276 0.584544
H 2.328978 -0.044306 -1.387377
H 4.024683 1.334900 -0.038010
H 2.856995 1.340587 1.320106
H 4.427551 -1.329572 -1.476715
H 2.002555 -1.332605 2.120465
H 1.783778 4.531338 0.137447
H 3.482370 4.084774 0.519871
H 2.131112 3.505634 1.558771
H 2.093939 1.902355 -2.345313
H 3.543028 2.927494 -1.988125
H 1.892510 3.644329 -2.065534
H 5.823877 -3.189145 -0.547266
H 3.397216 -3.201065 3.058795
H 5.313212 -4.131877 1.726671
H -1.372300 0.031045 1.011747
H -2.394053 0.543014 -1.874578
H -3.439904 0.139329 1.832466
H -4.717281 0.789344 -2.276861
H -5.812119 0.252057 2.584610
H -7.100150 0.902025 -1.516658
H -7.655299 0.633486 0.921359


