%chk=000084018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084018

0 1
 O   -1.878200     -0.7261000     -6.1400000E-02
 O   -3.137600      0.7971000       1.126400    
 O    3.990900      0.4282000      -1.559900    
 O    4.114300      -1.729800      0.1878000    
 N   -2.189400       2.731700     -0.6015000    
 C   -1.356500       1.552700     -0.3568000    
 C  -0.1579000       1.942400      0.5188000    
 C   0.9869000      0.9612000      0.4272000    
 C   -2.234700      0.5296000      0.3436000    
 C   -2.936800      -1.688100     -9.5399998E-02
 C    1.967500       1.150500     -0.5329000    
 C    1.034300     -0.1092000       1.305400    
 C    3.024900      0.2447000     -0.6171000    
 C   -4.029000      -1.197700      -1.033700    
 C   -2.377000      -3.033600     -0.5313000    
 C    2.091500      -1.015200       1.220900    
 C    3.086800     -0.8383000      0.2598000    
 H   -1.039200       1.160200      -1.330200    
 H  -0.4605000       2.053100       1.569400    
 H   0.2247000       2.929900      0.2240000    
 H   -3.341400      -1.803000      0.9179000    
 H    1.914200       1.994100      -1.216100    
 H   0.2660000     -0.2550000       2.059100    
 H   -2.949600       2.486800      -1.235300    
 H   -1.640900       3.444400      -1.081600    
 H   -4.799300      -1.964000      -1.169400    
 H   -4.529100     -0.2991000     -0.6608000    
 H   -3.615300     -0.9458000      -2.016800    
 H   -3.154100      -3.803600     -0.5483000    
 H   -1.581300      -3.353600      0.1502000    
 H   -1.927500      -2.964800      -1.528000    
 H    2.127500      -1.854400       1.910600    
 H    3.783500       1.226800      -2.075000    
 H    3.991000      -2.411000      0.8711000    


%chk=000084018-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084018

0 1
O -2.069701 -0.425955 -0.869823
O -2.510167 0.565908 1.201607
O 3.957892 -0.206755 -1.440721
O 3.876468 -2.010163 0.578034
N -2.191303 3.007659 -0.636011
C -1.286846 1.844269 -0.536859
C -0.068165 2.209037 0.359357
C 0.970370 1.102215 0.453018
C -2.008949 0.614984 0.049341
C -2.740018 -1.708196 -0.426239
C 1.982675 0.980422 -0.533640
C 0.939090 0.154460 1.502907
C 2.939478 -0.055845 -0.486796
C -4.253207 -1.575566 -0.646040
C -2.076978 -2.812964 -1.251014
C 1.894244 -0.886066 1.559783
C 2.897463 -1.003507 0.573787
H -0.935370 1.584788 -1.549671
H -0.453017 2.456657 1.367269
H 0.363797 3.130799 -0.070392
H -2.522990 -1.822322 0.652297
H 2.028258 1.713024 -1.352358
H 0.167885 0.228697 2.277063
H -2.910320 2.916904 -1.361918
H -2.597506 3.271863 0.269805
H -4.758824 -2.514596 -0.354787
H -4.666956 -0.758045 -0.031996
H -4.475593 -1.378223 -1.709853
H -2.489039 -3.797109 -0.962425
H -0.986875 -2.825158 -1.081838
H -2.260920 -2.660617 -2.329122
H 1.863851 -1.611841 2.383538
H 3.891554 0.505898 -2.124456
H 3.758421 -2.593555 1.368852


