%chk=000098184.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098184

0 1
 O    1.825800       1.562000     -0.1982000    
 O    3.566000     -0.5886000      0.2274000    
 N  -0.5995000      -1.178600      0.2089000    
 C  -8.9400001E-02  0.1190000     -0.2514000    
 C  -0.9817000       1.263300      0.2490000    
 C   -2.433900       1.057500     -0.1733000    
 C   -2.919700     -0.3284000      0.2371000    
 C    1.342600      0.2985000      0.2490000    
 C   -1.967100      -1.416000     -0.2537000    
 C    2.256800     -0.7887000     -0.2948000    
 H  -8.4200002E-02  0.1421000      -1.350000    
 H  -0.6353000       2.225600     -0.1456000    
 H  -0.9314000       1.331900       1.343800    
 H   -2.517400       1.167300      -1.261600    
 H   -3.069400       1.827300      0.2779000    
 H    1.379400      0.3108000       1.345800    
 H   -3.003100     -0.3773000       1.330200    
 H   -3.922700     -0.5036000     -0.1679000    
 H   -2.303100      -2.390600      0.1169000    
 H   -1.984700      -1.473700      -1.348800    
 H  -0.5840000      -1.203400       1.228900    
 H    1.937800      -1.789700      7.6000001E-03
 H    2.324900     -0.7555000      -1.387500    
 H    2.667300       1.734400      0.2568000    
 H    3.932200      0.2077000     -0.1929000    


%chk=000098184-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000098184

0 1
O 1.769702 1.727505 -0.136855
O 3.639705 -0.217347 0.160787
N -0.576116 -1.171080 0.177514
C -0.112685 0.200591 -0.193047
C -1.059003 1.313297 0.328209
C -2.505219 1.058972 -0.164129
C -2.987506 -0.364519 0.211687
C 1.335831 0.390195 0.289045
C -1.970338 -1.430486 -0.277562
C 2.296162 -0.661366 -0.282003
H -0.106706 0.248162 -1.302597
H -0.687472 2.297816 -0.007231
H -1.033343 1.315447 1.439194
H -2.537322 1.173959 -1.267934
H -3.191057 1.820500 0.253744
H 1.372005 0.326781 1.402683
H -3.092167 -0.440726 1.314126
H -3.986002 -0.565099 -0.225141
H -2.265114 -2.441164 0.061147
H -1.960545 -1.446333 -1.385893
H -0.510821 -1.294964 1.202375
H 2.048231 -1.664792 0.108283
H 2.231397 -0.666059 -1.389684
H 2.758381 1.738321 -0.026639
H 4.336203 -0.794313 -0.236479


