%chk=000097000.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097000

0 1
 O   -1.489000     -0.3168000      0.9952000    
 O   -1.088900      0.1758000      -1.937000    
 O   -3.542600       1.868700      8.9699998E-02
 O   -2.850400      -2.743600      0.8583000    
 O    1.290800       2.660100      0.5989000    
 N   0.5853000      0.4905000      0.2610000    
 N    2.913100       1.118400      0.2331000    
 N    4.595200     -0.4223000     -0.1363000    
 C   -1.517900       1.072100     -0.9187000    
 C   -2.954000      0.7471000     -0.5649000    
 C  -0.8079000      0.7939000      0.3971000    
 C   -2.822900     -0.3894000      0.4508000    
 C   -3.001500      -1.771400     -0.1617000    
 C   0.9632000     -0.8211000      7.8999996E-03
 C    1.588400       1.485300      0.3757000    
 C    2.233700      -1.208500     -0.1357000    
 C    3.257000     -0.1222000     -5.1000002E-03
 C    2.648400      -2.616500     -0.4083000    
 H   -1.353300       2.099100      -1.259300    
 H   -3.583100      0.4854000      -1.420600    
 H  -0.9260000       1.645400       1.078000    
 H   -3.514200     -0.2702000       1.293300    
 H   -2.245900      -1.975800     -0.9258000    
 H   -3.997600      -1.876800     -0.6025000    
 H   -1.613800      0.3663000      -2.733100    
 H   -3.065300       2.039900      0.9184000    
 H   0.1705000      -1.554700     -8.8399999E-02
 H   -2.972400      -3.614900      0.4443000    
 H    1.786500      -3.289000     -0.4757000    
 H    3.294800      -2.989300      0.3928000    
 H    3.191100      -2.680900      -1.356900    
 H    4.929800      -1.361600     -0.3207000    
 H    5.297800      0.3044000     -4.9800001E-02


%chk=000097000-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097000

0 1
O -1.641765 -0.107317 1.252623
O -1.357247 1.201457 -1.905408
O -4.013083 1.576830 0.597678
O -1.839802 -2.761256 0.062591
O 0.906223 2.395791 -0.955255
N 0.446546 0.365769 0.113774
N 2.617037 0.784788 -0.853288
N 4.272321 -0.835123 -0.787700
C -1.792431 1.518551 -0.557582
C -3.154282 0.808886 -0.308508
C -0.865787 0.936886 0.583879
C -2.745815 -0.534436 0.325836
C -2.309985 -1.586961 -0.695276
C 0.823888 -0.915172 0.464313
C 1.346338 1.247246 -0.598028
C 2.086304 -1.404000 0.168668
C 2.978678 -0.470115 -0.492554
C 2.508390 -2.810017 0.534304
H -1.900392 2.608560 -0.416630
H -3.720657 0.721282 -1.246473
H -0.630273 1.709210 1.336785
H -3.524401 -0.946223 0.988071
H -1.523615 -1.184996 -1.363047
H -3.198569 -1.844975 -1.310041
H -0.540608 1.761663 -2.057533
H -3.614302 1.552715 1.506869
H 0.062069 -1.511806 0.974023
H -1.632647 -3.491233 -0.573031
H 1.681381 -3.348630 1.026757
H 3.365910 -2.815075 1.236787
H 2.802357 -3.398750 -0.357653
H 4.643501 -1.750770 -0.552035
H 4.863619 -0.145381 -1.248915


