%chk=000041628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041628

0 1
 O    2.096400     -0.2547000       1.666600    
 O    6.030000       1.000300     -0.7422000    
 O   0.1967000      -1.341800     -0.2903000    
 O   -1.125400      -3.218700     -0.1202000    
 O   -5.760000      -1.152900     -5.0600000E-02
 O   -2.707800       2.521900     -0.3957000    
 O   -5.304900       1.573500     -0.2311000    
 N    4.583100     -0.5889000      -1.504500    
 C    3.974200      0.7167000      0.4991000    
 C    4.749300      0.8190000       1.821600    
 C    3.338900       2.074600      0.1604000    
 C    2.831800     -0.2829000      0.6789000    
 C    4.967400      0.3882000     -0.6158000    
 C    2.577700      -1.274700     -0.3997000    
 C    5.350800     -0.5156000       2.203600    
 C    2.496900       1.983500      -1.093400    
 C    3.455400      -1.350500      -1.403800    
 C    1.365500      -2.143100     -0.2944000    
 C  -0.9899000      -2.007500     -0.1982000    
 C   -2.132300      -1.059000     -0.2055000    
 C   -1.875800      0.2936000     -0.2971000    
 C   -3.415300      -1.560200     -0.1223000    
 C   -4.488800     -0.6696000     -0.1312000    
 C   -2.949400       1.184100     -0.3059000    
 C   -4.256000      0.7025000     -0.2230000    
 C   -6.313300      -1.306900       1.254800    
 C   -1.343600       2.930000     -0.4766000    
 C   -5.352000       2.539300      0.8165000    
 H    5.551500       1.564000       1.747400    
 H    4.090800       1.154200       2.632900    
 H    4.112900       2.839100      1.6700000E-02
 H    2.703200       2.419700      0.9858000    
 H    5.910400     -0.4100000       3.139600    
 H    6.053500     -0.8861000       1.451000    
 H    4.591100      -1.284600       2.372500    
 H    2.090300       2.976300      -1.320000    
 H    1.633700       1.322500     -0.9818000    
 H    3.071600       1.680100      -1.972500    
 H    5.197900     -0.7830000      -2.290000    
 H    3.328100      -2.062700      -2.211900    
 H    1.317100      -2.845300      -1.136000    
 H    1.416400      -2.727600      0.6326000    
 H  -0.8530000      0.6395000     -0.3596000    
 H   -3.607200      -2.627200     -5.1700000E-02
 H   -5.724600      -2.021800       1.838500    
 H   -6.355900     -0.3440000       1.773000    
 H   -7.330900      -1.693500       1.152000    
 H   -1.339200       4.023300     -0.5396000    
 H  -0.7859000       2.664500      0.4281000    
 H  -0.8643000       2.560100      -1.389600    
 H   -6.403100       2.723900       1.057100    
 H   -4.850700       2.189000       1.725700    
 H   -4.912100       3.481500      0.4778000    


%chk=000041628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041628

0 1
O 3.412311 0.760021 2.032725
O 5.300836 -0.272058 -2.339947
O 0.222155 -0.752374 1.530271
O -0.302918 -2.472963 0.041828
O -4.903380 -1.156228 -1.635222
O -3.634390 2.539981 1.336450
O -5.469946 1.447472 -0.456077
N 3.598680 -1.526657 -1.413881
C 4.463872 0.470026 -0.145217
C 5.904854 0.523871 0.474811
C 4.089045 1.916523 -0.643979
C 3.453906 0.072007 0.963098
C 4.506299 -0.447764 -1.375909
C 2.566705 -1.080964 0.744912
C 6.434552 -0.832254 0.985453
C 2.694421 2.039171 -1.292833
C 2.680413 -1.820264 -0.414207
C 1.543760 -1.429492 1.792690
C -0.614663 -1.389334 0.606744
C -1.880172 -0.639800 0.391230
C -2.122490 0.598954 1.040508
C -2.838980 -1.189444 -0.482971
C -4.059884 -0.517326 -0.721424
C -3.326286 1.282636 0.791079
C -4.317732 0.736807 -0.089744
C -6.364779 -0.969319 -1.581130
C -2.604253 3.190500 2.154337
C -6.377207 1.907504 0.619623
H 6.582874 0.924786 -0.300941
H 5.861685 1.249194 1.307591
H 4.869827 2.224806 -1.363900
H 4.154044 2.576177 0.240943
H 7.446925 -0.709484 1.410376
H 6.507667 -1.575245 0.169641
H 5.788547 -1.247920 1.780239
H 2.514935 3.081945 -1.610645
H 1.889021 1.761075 -0.588805
H 2.603014 1.401888 -2.191755
H 3.640488 -2.108153 -2.256568
H 2.012728 -2.667508 -0.598505
H 1.360639 -2.515502 1.852126
H 1.842493 -1.012058 2.765380
H -1.358255 1.002343 1.706649
H -2.652955 -2.147126 -0.975879
H -6.743163 -1.090633 -0.547919
H -6.653722 0.020037 -1.967212
H -6.763889 -1.772902 -2.219792
H -3.032958 4.164940 2.430576
H -2.385387 2.604384 3.067139
H -1.673155 3.339823 1.575863
H -7.215431 2.390028 0.094397
H -6.744885 1.043167 1.206859
H -5.864616 2.624806 1.278925


