%chk=000049868.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049868

0 1
 O   -2.391000      0.3914000      0.1004000    
 O    2.395700      0.4268000      9.9699996E-02
 O   -1.331900       1.303500       1.926200    
 O    1.323500       1.322300       1.926100    
 N  -6.4900003E-02   3.461800      -2.322400    
 C   2.3000001E-03  0.4058000      6.0500000E-02
 C  -1.9000000E-03   1.249800      -1.257400    
 C   1.1700000E-02  -1.122300     -0.1592000    
 C  -5.6000002E-02   2.769800      -1.036600    
 C   -1.292200      0.7630000      0.8281000    
 C    1.291500      0.7807000      0.8283000    
 C   4.1299999E-02  -1.589000      -1.446400    
 C  -1.0500000E-02  -1.932800      0.9444000    
 C   4.9500000E-02  -2.969600      -1.644600    
 C  -2.2000000E-03  -3.313500      0.7462000    
 C   2.7700000E-02  -3.831900     -0.5483000    
 C   -3.658000      0.6730000      0.7030000    
 C    3.658400      0.7295000      0.7009000    
 C   -4.759700      0.2036000     -0.2231000    
 C    4.766700      0.2779000     -0.2261000    
 H  -0.8682000      0.9760000      -1.876000    
 H   0.8941000       1.028700      -1.854100    
 H   0.8096000       3.112700     -0.4616000    
 H  -0.9556000       3.056600     -0.4836000    
 H   6.1999999E-02 -0.9669000      -2.331400    
 H  -3.2400001E-02  -1.540800       1.956100    
 H   7.3600002E-02  -3.374400      -2.652300    
 H  -1.8700000E-02  -3.984800       1.599800    
 H  -0.8628000       3.148800      -2.874200    
 H   0.7638000       3.202400      -2.856400    
 H   3.4400001E-02  -4.906900     -0.7027000    
 H   -3.750300       1.751800      0.8710000    
 H   -3.731100      0.1473000       1.661500    
 H    3.741200      0.2055000       1.659500    
 H    3.733200       1.809700      0.8683000    
 H   -4.669200     -0.8705000     -0.4156000    
 H   -4.688200      0.7072000      -1.192700    
 H   -5.744800      0.4038000      0.2076000    
 H    4.686000      0.7799000      -1.195900    
 H    4.693700     -0.7977000     -0.4181000    
 H    5.748700      0.4944000      0.2035000    


%chk=000049868-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049868

0 1
O -2.435524 0.757478 0.060025
O 2.341669 0.374904 0.220348
O -1.401913 0.118010 2.037768
O 1.065169 1.706334 1.634859
N -0.398043 3.256496 -2.567134
C -0.052892 0.232248 -0.051196
C -0.142158 1.015379 -1.401945
C 0.136416 -1.297532 -0.250578
C -0.214592 2.564783 -1.277494
C -1.329623 0.379851 0.818776
C 1.135986 0.842706 0.734970
C 0.024986 -1.914108 -1.519511
C 0.403442 -2.111026 0.882298
C 0.188568 -3.312303 -1.656672
C 0.568234 -3.504047 0.746097
C 0.463124 -4.113182 -0.526861
C -3.736192 0.819064 0.801390
C 3.581291 0.949953 0.831858
C -4.790162 1.288216 -0.195269
C 4.761804 0.274110 0.143208
H -1.044748 0.675375 -1.940576
H 0.744442 0.747049 -2.008401
H 0.705005 2.958995 -0.807345
H -1.051404 2.844359 -0.613710
H -0.183541 -1.316384 -2.411353
H 0.462090 -1.649599 1.874792
H 0.101203 -3.772301 -2.647617
H 0.774854 -4.115191 1.631825
H -1.297065 3.065048 -3.020510
H 0.386813 3.153068 -3.218127
H 0.590328 -5.196270 -0.634338
H -3.613951 1.512163 1.652731
H -3.947272 -0.187999 1.204229
H 3.551977 0.753452 1.918709
H 3.566575 2.044962 0.681008
H -4.874166 0.586855 -1.043046
H -4.542663 2.288503 -0.590334
H -5.774348 1.347324 0.304298
H 4.754647 0.474381 -0.941861
H 4.731383 -0.818122 0.294882
H 5.709249 0.659598 0.562208


