%chk=000107994.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107994

0 1
 O   0.2154000       1.908000      -1.198200    
 O    4.346700       3.351300     -0.2659000    
 O    4.002900       1.761900      -1.863200    
 O   -1.515300      -2.875900      0.2094000    
 O   -1.932300      -2.834100      -2.018500    
 N    2.025600      0.6171000     -0.4968000    
 N   -1.117900     -0.2005000      -2.058900    
 C    2.680600       1.747400      0.1645000    
 C    3.246100       1.381800       1.533400    
 C    2.748500     -0.6647000     -0.5424000    
 C    4.016800      9.0099998E-02   1.526500    
 C    3.764800     -0.8818000      0.5478000    
 C   0.3309000     -0.3039000      -2.047000    
 C   0.8438000      0.8468000      -1.215300    
 C   -1.692100     -0.7251000     -0.8255000    
 C    3.731600       2.258300     -0.7800000    
 C   -3.099700     -0.1429000     -0.6351000    
 C    4.958900     -0.1656000       2.533200    
 C    4.481900      -2.087600      0.5774000    
 C   0.8960000     -0.2190000      -3.449900    
 C   -3.810800     -0.6025000      0.6474000    
 C    5.663700      -1.368200       2.553600    
 C    5.427000      -2.328400       1.574100    
 C   -1.739000      -2.236400     -0.9669000    
 C   -5.162700      2.8600000E-02  0.8737000    
 C   -5.264600       1.221000       1.590400    
 C   -6.310600     -0.5801000      0.3659000    
 C   -6.514200       1.804600       1.799500    
 C   -7.560100      3.5999999E-03  0.5749000    
 C   -7.661800       1.196000       1.291800    
 H    1.956300       2.562000      0.2861000    
 H    3.876500       2.190800       1.920900    
 H    2.412900       1.255300       2.237200    
 H    3.232500     -0.7457000      -1.521100    
 H    2.028600      -1.478900     -0.4333000    
 H   0.6033000      -1.283500      -1.660600    
 H   -1.081600     -0.4611000      4.6900000E-02
 H   -1.518200     -0.6762000      -2.866800    
 H   -3.731200     -0.4068000      -1.495100    
 H   -3.034100      0.9538000     -0.6282000    
 H    5.149300      0.5740000       3.306900    
 H    4.303200      -2.848500     -0.1787000    
 H   0.6285000      0.7273000      -3.935100    
 H    1.989000     -0.2776000      -3.446600    
 H   0.5215000      -1.035400      -4.077500    
 H   -3.936300      -1.692300      0.6365000    
 H   -3.170400     -0.3916000       1.514000    
 H    6.395300      -1.556100       3.333900    
 H    5.974800      -3.266000       1.588000    
 H    5.039000       3.699000     -0.8676000    
 H   -4.377400       1.705800       1.989000    
 H   -6.243700      -1.507900     -0.1960000    
 H   -1.537100      -3.851000      0.1054000    
 H   -6.593500       2.733300       2.357000    
 H   -8.453800     -0.4699000      0.1791000    
 H   -8.634700       1.650600       1.454200    


%chk=000107994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107994

0 1
O 0.325027 1.770499 -0.191947
O 4.704358 3.228835 0.438621
O 4.132262 2.306116 -1.612673
O -1.546419 -1.963508 1.547966
O -1.408063 -2.831783 -0.599226
N 2.287513 0.550740 -0.380460
N -1.203492 -0.098367 -1.593164
C 2.964939 1.555186 0.458444
C 3.592965 0.879782 1.699036
C 3.140098 -0.533504 -0.911329
C 4.434983 -0.327626 1.312066
C 4.202233 -0.999359 0.083908
C 0.263566 -0.204183 -1.677669
C 0.943312 0.781023 -0.695408
C -1.850289 -0.395997 -0.308931
C 3.971987 2.356396 -0.374878
C -3.378820 -0.139747 -0.442396
C 5.452788 -0.801888 2.177438
C 4.989729 -2.127654 -0.255347
C 0.692927 0.138621 -3.127295
C -4.165594 -0.192219 0.894497
C 6.229429 -1.928950 1.839229
C 5.995872 -2.596935 0.613370
C -1.589117 -1.843499 0.150268
C -5.632772 0.159173 0.691196
C -6.058276 1.513059 0.680376
C -6.601697 -0.853661 0.471506
C -7.412743 1.847066 0.456416
C -7.958135 -0.525440 0.246040
C -8.368717 0.827706 0.237207
H 2.178837 2.268069 0.778128
H 4.198208 1.615908 2.254970
H 2.762705 0.566667 2.361403
H 3.644222 -0.186705 -1.837280
H 2.505109 -1.392907 -1.184999
H 0.610100 -1.239729 -1.442170
H -1.448557 0.289593 0.456197
H -1.648504 -0.603750 -2.370971
H -3.817239 -0.861951 -1.161285
H -3.476524 0.866611 -0.889451
H 5.635771 -0.276056 3.122697
H 4.811833 -2.642747 -1.208124
H 0.353846 1.157720 -3.377831
H 1.786397 0.090314 -3.257693
H 0.231865 -0.572821 -3.837460
H -4.075275 -1.197503 1.344863
H -3.697558 0.516322 1.604761
H 7.012119 -2.282219 2.519441
H 6.594113 -3.472483 0.338604
H 5.323889 3.764155 -0.127513
H -5.322989 2.308894 0.854752
H -6.291181 -1.906326 0.482938
H -1.385680 -2.916508 1.793205
H -7.723282 2.898274 0.456637
H -8.693067 -1.322006 0.081870
H -9.420212 1.084504 0.065851


