%chk=000072087.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072087

0 1
 I   -5.898000       2.810300     -0.4167000    
 I   -6.064000      -3.171000      0.7848000    
 O   -1.322700     -0.1651000      -2.059500    
 O   -7.033900     -0.1108000      0.3849000    
 N   0.7612000      0.3372000     -0.1855000    
 C    1.591600       1.272500      0.5737000    
 C  -0.6368000      0.4657000      0.1941000    
 C    3.078300       1.110700      0.2056000    
 C   -1.499200     -0.4773000     -0.6749000    
 C    3.673400     -0.2736000      0.5049000    
 C    1.127700       2.704100      0.3032000    
 C  -0.7508000      0.1562000       1.687900    
 C   -2.982800     -0.3790000     -0.3906000    
 C    5.145400     -0.3849000      0.1970000    
 C   -3.677200      -1.519100     -2.5800001E-02
 C   -3.611500      0.8488000     -0.5019000    
 C    5.548300     -0.7910000      -1.066200    
 C    6.072300     -7.9400003E-02   1.182300    
 C   -4.978600      0.9394000     -0.2399000    
 C   -5.044300      -1.428500      0.2360000    
 C   -5.695000     -0.1994000      0.1288000    
 C    6.910000     -0.8941000      -1.350800    
 C    7.433900     -0.1823000      0.8977000    
 C    7.852800     -0.5896000     -0.3689000    
 H    1.551500       1.082000       1.651100    
 H  -0.9923000       1.480600     -7.9999998E-04
 H    1.072200     -0.6193000     -2.3600001E-02
 H    3.218000       1.338000     -0.8604000    
 H    3.661100       1.865800      0.7507000    
 H   -1.162000      -1.513200     -0.5389000    
 H    3.145300      -1.048800     -6.3699998E-02
 H    3.506300     -0.5227000       1.561100    
 H   0.9940000       2.894400     -0.7681000    
 H   0.2001000       2.956200      0.8260000    
 H    1.875700       3.420500      0.6634000    
 H   -1.797100      2.7000001E-02   1.985300    
 H  -0.2313000     -0.7711000       1.957000    
 H  -0.3773000      0.9667000       2.321300    
 H  -0.3689000     -0.2027000      -2.245200    
 H   -3.159600      -2.471500      5.5000000E-02
 H   -3.054100       1.730700     -0.8049000    
 H    4.821900      -1.028000      -1.838300    
 H    5.756000      0.2407000       2.171000    
 H    7.236200      -1.210600      -2.337200    
 H    8.168100      5.5300001E-02   1.662000    
 H    8.913100     -0.6695000     -0.5907000    
 H   -7.311200      0.8134000      0.2610000    


%chk=000072087-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072087

0 1
I -5.749596 3.242658 -0.907554
I -6.411602 -2.369984 1.543157
O -1.179546 0.224122 -1.919947
O -7.072639 0.611196 0.629261
N 0.726952 0.062488 -0.170595
C 1.513007 1.212576 0.381059
C -0.618208 -0.189059 0.428694
C 3.008411 1.039577 0.020555
C -1.594588 -0.555982 -0.765326
C 3.728770 -0.110220 0.781876
C 0.967549 2.545362 -0.174709
C -0.605744 -1.255920 1.538967
C -3.050388 -0.256610 -0.436014
C 5.204709 -0.200059 0.418422
C -3.867654 -1.213559 0.212341
C -3.595186 1.009480 -0.756346
C 5.633122 -0.966952 -0.695821
C 6.178884 0.517783 1.158984
C -4.922413 1.305751 -0.406039
C -5.196198 -0.903727 0.561397
C -5.756180 0.366364 0.263282
C 6.996858 -1.014909 -1.062650
C 7.544180 0.473463 0.796482
C 7.958103 -0.293190 -0.317361
H 1.427965 1.232437 1.494892
H -0.969813 0.773073 0.846033
H 1.288896 -0.800428 -0.187920
H 3.099336 0.880525 -1.072600
H 3.532743 1.987911 0.244590
H -1.486244 -1.646351 -0.971782
H 3.237900 -1.079254 0.559820
H 3.613381 0.062824 1.869953
H 1.131309 2.602643 -1.266060
H -0.116180 2.654499 0.008732
H 1.480157 3.399918 0.303502
H -1.612095 -1.391938 1.973388
H -0.272861 -2.235064 1.142075
H 0.077435 -0.965370 2.357905
H -0.187360 0.363715 -1.723362
H -3.472553 -2.210321 0.434759
H -2.969704 1.716684 -1.306485
H 4.894224 -1.533749 -1.276914
H 5.865991 1.109824 2.028596
H 7.310144 -1.615747 -1.924061
H 8.283510 1.030728 1.383010
H 9.016446 -0.331403 -0.598473
H -7.347431 1.527890 0.351585


