%chk=000104879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104879

0 1
 O  -0.6919000       1.032900       1.365900    
 O   -1.835300       3.405900       1.681200    
 O    1.557100       1.439300     -0.4164000    
 O    2.737600     -0.5211000      3.7799999E-02
 O    3.999500       2.777500     -0.8949000    
 O    6.244000       1.552200      0.5658000    
 O    6.309500      -1.308400      5.5000000E-02
 O    4.676500      -3.420300      0.4411000    
 O    2.644900      -2.769500       1.244300    
 N   -4.825500      -2.211900     -0.1641000    
 C   -2.761700     -0.1255000      0.8298000    
 C   -4.108800      0.1511000      0.1815000    
 C   -4.158000      -1.078100     -0.8078000    
 C   -2.121300      0.9710000       1.702200    
 C   -2.890300      -1.545800       1.522500    
 C   -1.772800     -2.9999999E-02 -0.3413000    
 C   -3.442400     -0.7675000      -2.139400    
 C   -4.301300      -2.283600       1.254300    
 C   -2.031800     -0.2900000      -1.713600    
 C   -2.794800       2.362800       1.537800    
 C   -4.222600       1.557200     -0.3477000    
 C  -0.6204000      0.5952000      7.0699997E-02
 C   -3.600100       2.569600      0.2781000    
 C   -1.006000     -3.9099999E-02  -2.621500    
 C   -6.275300      -2.130300     -0.2275000    
 C   0.4085000      0.8374000     -0.8157000    
 C   0.2141000      0.4992000      -2.165200    
 C    2.776500      0.7322000     -0.6400000    
 C    3.923800       1.590300     -0.1061000    
 C    5.256000      0.8441000     -0.1842000    
 C    5.140900     -0.5653000      0.3976000    
 C    3.921400      -1.284100     -0.1658000    
 C    3.649900      -2.547000      0.5857000    
 H   -4.917800      9.7400002E-02  0.9233000    
 H   -5.081600     -0.7488000      -1.318200    
 H   -2.160400      0.7078000       2.766000    
 H   -2.778100      -1.454600       2.608800    
 H   -2.089200      -2.203600       1.163200    
 H   -3.919700      1.1700000E-02  -2.746300    
 H   -3.343200      -1.682000      -2.734000    
 H   -4.198900      -3.339200       1.530500    
 H   -5.030800      -1.845800       1.949000    
 H   -3.504100       2.489300       2.365700    
 H   -4.857400       1.757800      -1.204300    
 H   -3.739100       3.582800     -8.7499999E-02
 H   -1.145400     -0.2318000      -3.681100    
 H   -6.683500      -1.224500      0.2347000    
 H   -6.716100      -2.990000      0.2907000    
 H   -6.633100      -2.190100      -1.262300    
 H   0.9884000      0.7048000      -2.900800    
 H   -1.167800       3.291800      0.9832000    
 H    2.910400      0.5724000      -1.718100    
 H    3.719600       1.901800      0.9258000    
 H    5.616500      0.8124000      -1.219900    
 H    5.097300     -0.5052000       1.492900    
 H    4.024300      -1.534200      -1.229100    
 H    4.747800       3.300900     -0.5605000    
 H    7.073100       1.047500      0.5046000    
 H    6.280800      -2.149500      0.5412000    
 H    4.518200      -4.256100      0.9295000    


%chk=000104879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104879

0 1
O -0.562569 0.909239 1.269366
O -1.502066 3.068701 2.514150
O 1.573381 1.451087 -0.752688
O 2.628728 -0.276151 0.410895
O 4.047793 1.989902 -2.199235
O 6.361657 1.291411 -0.649945
O 6.262637 -1.298495 0.537515
O 4.634070 -2.530532 2.337450
O 2.325067 -2.512558 2.084863
N -4.557241 -1.929976 -0.531105
C -2.752328 -0.125339 0.792345
C -4.197691 0.353511 0.463026
C -4.658336 -0.459516 -0.793730
C -1.965281 0.716833 1.845752
C -2.779254 -1.652954 1.170765
C -1.925330 0.139809 -0.462249
C -3.839209 -0.116347 -2.073372
C -4.127229 -2.319670 0.822536
C -2.353729 0.063629 -1.794902
C -2.564346 2.131845 2.143075
C -4.232899 1.859097 0.273580
C -0.664256 0.642949 -0.110523
C -3.447423 2.670135 1.027505
C -1.387439 0.341930 -2.800374
C -5.686028 -2.706647 -1.061518
C 0.302054 0.904120 -1.095341
C -0.072552 0.728340 -2.451591
C 2.673930 0.547351 -0.833910
C 3.976068 1.357973 -0.883764
C 5.182192 0.424896 -0.690475
C 5.076692 -0.441642 0.571826
C 3.739581 -1.229111 0.492218
C 3.434869 -2.127421 1.692780
H -4.877565 0.082950 1.298268
H -5.721973 -0.187908 -0.988221
H -1.789325 0.179502 2.790147
H -2.595352 -1.776282 2.255448
H -1.964173 -2.171982 0.637213
H -4.219360 0.826592 -2.520694
H -4.017113 -0.915213 -2.817533
H -4.000555 -3.418966 0.836840
H -4.891228 -2.083989 1.609734
H -3.186161 2.033832 3.057116
H -4.908308 2.278819 -0.484080
H -3.460355 3.761460 0.921291
H -1.670198 0.295439 -3.858349
H -6.648908 -2.529190 -0.517441
H -5.457929 -3.786819 -1.005533
H -5.851895 -2.455566 -2.125347
H 0.663347 0.969926 -3.226852
H -0.692246 2.801569 1.997092
H 2.588595 -0.129830 -1.713909
H 3.959960 2.111137 -0.069865
H 5.249487 -0.261875 -1.564587
H 5.063119 0.198295 1.478204
H 3.776976 -1.887783 -0.409105
H 4.933332 2.433689 -2.259341
H 7.147778 0.713222 -0.471637
H 6.223847 -1.889726 1.336131
H 4.412796 -3.134304 3.097186


