%chk=000085948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085948

0 1
 O   -1.234900       1.015400     -0.9179000    
 O   3.8400002E-02  0.4779000      0.9288000    
 O    6.104200      -1.789400      0.4849000    
 O    4.437100      -2.588600     -0.6986000    
 N   -4.649800      -1.105500     -0.4905000    
 N    4.985800      -1.653000     -6.7599997E-02
 C   -3.802800      -1.228700      0.7109000    
 C   -4.926500      0.3425000     -0.5458000    
 C   -4.465600     -0.3099000       1.743100    
 C   -5.212100      0.7338000      0.9084000    
 C   -2.403200     -0.7245000      0.3073000    
 C   -3.642500       1.008400      -1.078800    
 C   -2.422700      0.7288000     -0.1896000    
 C   -5.865800      -1.911100     -0.4106000    
 C  -5.9500001E-02  0.8473000     -0.2335000    
 C    1.095800       1.192300      -1.142900    
 C    2.438600       1.001500     -0.4860000    
 C    3.077300     -0.2263000     -0.5826000    
 C    3.016000       2.057300      0.2042000    
 C    4.320800     -0.4019000      2.4400000E-02
 C    4.259300       1.881700      0.8112000    
 C    4.911900      0.6521000      0.7212000    
 H   -3.721300      -2.261100       1.069500    
 H   -5.760200      0.5917000      -1.211700    
 H   -3.744100      0.1529000       2.424300    
 H   -5.183400     -0.8694000       2.354500    
 H   -6.285700      0.6713000       1.121800    
 H   -4.888700       1.752900       1.144700    
 H   -1.758500     -0.8422000       1.183400    
 H   -1.983900      -1.379700     -0.4686000    
 H   -3.442200      0.6584000      -2.100900    
 H   -3.785100       2.093100      -1.163000    
 H   -2.463800       1.410600      0.6702000    
 H   -5.607900      -2.974700     -0.3598000    
 H   -6.464800      -1.776700      -1.318000    
 H   -6.499400      -1.675500      0.4506000    
 H   0.9869000       2.235500      -1.463200    
 H    1.033100      0.5653000      -2.040500    
 H    2.594300      -1.032200      -1.129600    
 H    2.515200       3.018200      0.2816000    
 H    4.719000       2.702400       1.354100    
 H    5.879400      0.5518000       1.206400    


%chk=000085948-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085948

0 1
O -1.111352 0.660148 -0.938728
O -0.176269 1.634049 0.966041
O 6.516273 -1.617987 -0.134794
O 5.037986 -1.967775 -1.834770
N -4.743850 -1.270209 -0.337043
N 5.414876 -1.360783 -0.758290
C -3.952948 -1.132696 0.928967
C -4.890008 0.163773 -0.749304
C -4.630386 0.055972 1.708497
C -5.260511 0.934959 0.573218
C -2.489286 -0.807688 0.529323
C -3.523972 0.619725 -1.328372
C -2.441909 0.527607 -0.240684
C -6.032849 -1.980798 -0.165922
C -0.072199 1.231620 -0.216937
C 1.180470 1.335269 -1.090739
C 2.473255 0.992767 -0.362592
C 3.322056 -0.012930 -0.874623
C 2.858432 1.682072 0.819362
C 4.530399 -0.304614 -0.204883
C 4.071002 1.371548 1.474591
C 4.926672 0.372032 0.967680
H -3.977753 -2.079459 1.495440
H -5.668196 0.256844 -1.526236
H -3.899703 0.613569 2.320987
H -5.409205 -0.323258 2.393222
H -6.356587 1.004425 0.687040
H -4.866851 1.967155 0.570411
H -1.842327 -0.752107 1.423703
H -2.122277 -1.617771 -0.126011
H -3.259597 -0.049258 -2.166133
H -3.587896 1.654137 -1.714768
H -2.511718 1.372818 0.468820
H -5.832213 -3.021067 0.145985
H -6.556609 -2.016477 -1.137648
H -6.725264 -1.524696 0.581953
H 1.223595 2.384822 -1.447271
H 1.042354 0.700509 -1.979792
H 3.067641 -0.573729 -1.778951
H 2.192776 2.446606 1.230904
H 4.350215 1.911997 2.384691
H 5.872428 0.111579 1.449457


