%chk=000050834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050834

0 1
 O  -0.6312000     -0.9678000      -1.602500    
 O   -1.874400      -2.548400     -0.4821000    
 N    1.999100     -0.6460000     -0.6546000    
 N   -5.355700       2.802900      5.0500002E-02
 C    2.956200     -0.6177000      0.4525000    
 C    3.583000      0.7869000      0.5813000    
 C    2.299300      -1.083600       1.765600    
 C    4.280200       1.313500     -0.6792000    
 C    1.122600     -0.2313000       2.263100    
 C    1.410300      -1.968500     -0.7913000    
 C    4.914800       2.682600     -0.4253000    
 C   0.4620000     -0.7775000       3.529100    
 C   0.3619000      -1.940600      -1.904000    
 C    2.502000      -3.003400      -1.064900    
 C    5.637200       3.199600      -1.659300    
 C  -0.6962000      0.1029000       3.973800    
 C   -1.699900      -1.408300     -0.8833000    
 C   -2.659800     -0.3026000     -0.6375000    
 C   -4.001700     -0.5992000     -0.5155000    
 C   -2.180100      0.9877000     -0.5395000    
 C   -4.903700      0.4396000     -0.2854000    
 C   -3.081900       2.026600     -0.3093000    
 C   -4.443800       1.752600     -0.1822000    
 H    3.803300      -1.279500      0.2387000    
 H    2.811100       1.514400      0.8615000    
 H    4.307100      0.7710000       1.406500    
 H    3.073800      -1.045400       2.545500    
 H    2.016700      -2.141100       1.738000    
 H    1.269700      5.0900001E-02 -0.5111000    
 H    3.561700       1.396300      -1.502800    
 H    5.052800      0.6007000     -0.9914000    
 H    1.466500      0.7892000       2.465200    
 H   0.3569000     -0.1598000       1.482900    
 H   0.8555000      -2.259800      0.1052000    
 H    4.142000       3.402500     -0.1317000    
 H    5.627900       2.615000      0.4046000    
 H   9.3400002E-02  -1.793400       3.345900    
 H    1.201000     -0.8395000       4.336100    
 H  -8.1799999E-02  -2.931200      -2.064700    
 H   0.8205000      -1.651200      -2.857400    
 H    3.104100      -3.233400     -0.1810000    
 H    3.170600      -2.683200      -1.872300    
 H    2.050100      -3.951600      -1.379500    
 H    6.082300       4.178500      -1.455600    
 H    6.439100       2.517400      -1.959100    
 H    4.946000       3.309000      -2.501200    
 H   -1.466500      0.1591000       3.197800    
 H  -0.3548000       1.119400       4.193800    
 H   -1.155700     -0.3049000       4.879500    
 H   -4.372000      -1.616800     -0.5973000    
 H   -1.123700       1.225400     -0.6200000    
 H   -5.962600      0.2135000     -0.1891000    
 H   -2.710900       3.045100     -0.2275000    
 H   -6.343100       2.604700      0.1433000    
 H   -5.022900       3.754900      0.1261000    


%chk=000050834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050834

0 1
O -0.585924 -0.774424 -1.755486
O -1.802815 -2.620540 -0.986872
N 2.085925 -0.609649 -0.697115
N -5.532978 2.405839 0.812549
C 2.891325 -0.530411 0.552326
C 3.550781 0.871241 0.626133
C 2.102798 -0.881098 1.856075
C 4.637599 1.092124 -0.448069
C 0.891929 0.032818 2.157528
C 1.514690 -1.925725 -1.074588
C 5.219208 2.523770 -0.443554
C 0.078173 -0.432481 3.386978
C 0.494500 -1.699348 -2.204224
C 2.611851 -2.892681 -1.570208
C 6.326282 2.723900 -1.501496
C -1.152005 0.459306 3.663336
C -1.692618 -1.372907 -1.115693
C -2.666243 -0.366945 -0.639861
C -3.824463 -0.816144 0.052545
C -2.487736 1.029958 -0.838736
C -4.774294 0.093712 0.536003
C -3.432872 1.949511 -0.361342
C -4.594789 1.497576 0.336963
H 3.711067 -1.272995 0.458814
H 2.768353 1.652318 0.520125
H 3.991287 1.006333 1.635366
H 2.810178 -0.849263 2.710929
H 1.746081 -1.930387 1.793534
H 1.344132 0.106448 -0.691949
H 4.202721 0.861393 -1.439903
H 5.461200 0.364063 -0.288306
H 1.233499 1.075008 2.322678
H 0.214011 0.059314 1.278557
H 0.969304 -2.416495 -0.233418
H 4.399323 3.249801 -0.622711
H 5.623497 2.755540 0.563798
H -0.252351 -1.478873 3.225690
H 0.737978 -0.448050 4.278974
H 0.042985 -2.655470 -2.519396
H 0.962872 -1.173159 -3.052364
H 3.349444 -3.096989 -0.774468
H 3.151395 -2.449823 -2.426799
H 2.174714 -3.861350 -1.875743
H 6.724061 3.755647 -1.486639
H 7.171661 2.032357 -1.323508
H 5.940097 2.523422 -2.518779
H -1.839871 0.460553 2.796368
H -0.847933 1.506677 3.852494
H -1.718339 0.106926 4.545440
H -3.955965 -1.893265 0.200998
H -1.601898 1.380081 -1.376189
H -5.661363 -0.268813 1.069292
H -3.283480 3.023899 -0.523462
H -6.360298 2.088909 1.310191
H -5.408387 3.405040 0.676096


