%chk=000093905.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093905

0 1
 O   -2.490800      -2.236000      0.4216000    
 O   -3.194400       2.358600     -9.9699996E-02
 N  -0.9771000       1.642200     -8.8000000E-02
 N    1.283300      0.8226000     -6.4700000E-02
 N    3.532400      4.1800000E-02 -4.5299999E-02
 C  -4.8200000E-02  0.5585000      1.4700000E-02
 C  -0.5419000     -0.7371000      0.1934000    
 C   -1.985900     -0.9580000      0.2719000    
 C    2.141700     -0.2149000      3.4299999E-02
 C   0.3843000      -1.783200      0.2915000    
 C   -2.356500       1.460200     -1.6400000E-02
 C    1.746700      -1.524800      0.2112000    
 C   -2.837200      6.8099998E-02  0.1744000    
 C  -0.4246000       2.980600     -0.2746000    
 C    4.427900     -0.9596000     -0.5813000    
 C    4.064500       1.312400      0.3958000    
 C   -2.724300      -2.831500     -0.8387000    
 H   5.7799999E-02  -2.809600      0.4397000    
 H    2.439300      -2.353100      0.3076000    
 H   -3.911000     -8.1000000E-02  0.2248000    
 H   0.1538000       3.007100      -1.203500    
 H   0.2176000       3.229000      0.5763000    
 H   -1.217000       3.731300     -0.3398000    
 H    4.667800      -1.714700      0.1747000    
 H    5.374500     -0.5101000     -0.9027000    
 H    4.004000      -1.452600      -1.463700    
 H    5.155000       1.281700      0.4935000    
 H    3.660300       1.586800       1.376600    
 H    3.814000       2.102700     -0.3197000    
 H   -3.081400      -3.852200     -0.6708000    
 H   -1.809900      -2.892400      -1.438900    
 H   -3.500500      -2.294000      -1.394900    


%chk=000093905-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093905

0 1
O -2.166634 -2.479139 -0.361040
O -3.047637 2.304996 -0.164791
N -0.830709 1.514224 -0.108365
N 1.402567 0.780172 -0.046680
N 3.671520 0.158053 0.022963
C 0.084206 0.456594 -0.119955
C -0.383775 -0.897629 -0.206733
C -1.808190 -1.133782 -0.279691
C 2.338428 -0.219082 -0.055506
C 0.600781 -1.922053 -0.215426
C -2.253862 1.308655 -0.179410
C 1.959689 -1.606474 -0.141736
C -2.700724 -0.074786 -0.266249
C -0.333555 2.902237 -0.021005
C 4.736469 -0.853171 0.019382
C 4.064374 1.573357 0.106215
C -3.598554 -2.793980 -0.439039
H 0.271169 -2.962785 -0.281644
H 2.710258 -2.398639 -0.150306
H -3.783146 -0.203683 -0.318216
H 0.332474 3.123194 -0.871499
H 0.237516 3.046012 0.911384
H -1.216084 3.559067 -0.038594
H 4.642108 -1.554723 0.871677
H 5.709049 -0.343947 0.106510
H 4.742938 -1.443952 -0.918223
H 4.620730 1.773139 1.042865
H 3.150214 2.183624 0.091394
H 4.705291 1.855301 -0.751925
H -3.648787 -3.890896 -0.493832
H -4.052140 -2.347462 -1.343977
H -4.131785 -2.433642 0.460753


