%chk=000100032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100032

0 1
 O  -0.5978000      -1.403000     -0.1999000    
 O   -2.572200      -2.888600      -1.472100    
 O   -1.710500       3.346300      -1.358400    
 O   -6.586600      0.8655000       1.963300    
 N   -3.615000      0.4188000     -0.1744000    
 C   -3.281300     -0.6209000      -1.138400    
 C    4.158900     -0.1531000     -0.1441000    
 C    2.973700     -0.6441000      0.6903000    
 C   -2.920800      -1.943100     -0.4568000    
 C    5.449000      6.2000002E-03  0.6655000    
 C    1.721500     -0.8073000     -0.1702000    
 C   -1.751100      -1.822000      0.5174000    
 C    6.651900      0.4260000     -0.1822000    
 C   0.5255000      -1.255900      0.6577000    
 C   -3.380000       1.747200     -0.7445000    
 C   -5.008100      0.2934000      0.2597000    
 C    7.925100      0.4993000      0.6621000    
 C   -1.892400       2.058800     -0.7838000    
 C   -5.221400      0.9978000       1.590100    
 C    9.131600      0.8788000     -0.1814000    
 H   -4.101700     -0.7834000      -1.852500    
 H   -2.434600     -0.3481000      -1.778800    
 H    3.905700      0.8090000     -0.6065000    
 H    4.337400     -0.8606000     -0.9636000    
 H    2.777400      7.0200004E-02   1.498900    
 H    3.226000      -1.602900       1.159000    
 H   -3.789400      -2.349800      7.1900003E-02
 H    5.674700     -0.9459000       1.162100    
 H    5.286900      0.7459000       1.459200    
 H    1.478600      0.1379000     -0.6720000    
 H    1.903500      -1.534300     -0.9715000    
 H   -1.545100      -2.803600      0.9611000    
 H   -1.977200      -1.115500       1.323600    
 H    6.793300     -0.2945000     -0.9969000    
 H    6.454000       1.401000     -0.6433000    
 H   0.7434000      -2.213800       1.144300    
 H   0.3025000     -0.5095000       1.429200    
 H   -3.817700       1.839800      -1.748100    
 H   -3.852200       2.541200     -0.1551000    
 H   -5.708800      0.6723000     -0.4969000    
 H   -5.289700     -0.7564000      0.4089000    
 H    7.798000       1.236600       1.463400    
 H    8.112900     -0.4696000       1.139200    
 H   -1.318900       1.352400      -1.388400    
 H   -1.471400       2.070900      0.2276000    
 H   -4.998400       2.066700       1.546500    
 H   -4.604600      0.5442000       2.373700    
 H   -2.370700      -3.731500      -1.031000    
 H    9.305700      0.1414000     -0.9715000    
 H    10.03000      0.9271000      0.4420000    
 H    8.990000       1.858000     -0.6500000    
 H  -0.7553000       3.528700      -1.354300    
 H   -6.692400       1.308800       2.822300    


%chk=000100032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100032

0 1
O -0.580558 -1.261807 0.004354
O -2.443609 -2.992108 -1.099096
O -1.784639 3.511270 -0.670757
O -7.211098 0.619740 1.369325
N -3.885780 0.434650 -0.331938
C -3.272316 -0.658786 -1.121805
C 4.321977 -0.274572 -0.197553
C 3.125087 -0.630096 0.712806
C -2.889744 -1.878815 -0.245742
C 5.649573 -0.111876 0.576236
C 1.802091 -0.791457 -0.070677
C -1.802098 -1.546681 0.783821
C 6.845838 0.251060 -0.332015
C 0.618635 -1.124965 0.841836
C -3.469992 1.794798 -0.749554
C -5.343288 0.284094 -0.110811
C 8.174012 0.415204 0.441754
C -2.098463 2.162860 -0.164882
C -5.746733 0.760278 1.291734
C 9.363758 0.778639 -0.472624
H -3.940468 -1.023624 -1.933902
H -2.350554 -0.283450 -1.602064
H 4.099372 0.664733 -0.745588
H 4.441852 -1.062834 -0.969700
H 3.007187 0.159898 1.484264
H 3.349822 -1.569032 1.260613
H -3.784499 -2.257858 0.280564
H 5.875057 -1.053201 1.120084
H 5.528114 0.673009 1.352333
H 1.574451 0.140378 -0.624687
H 1.907472 -1.593996 -0.826515
H -1.624933 -2.418010 1.448838
H -2.096769 -0.661933 1.383940
H 6.970190 -0.533369 -1.107876
H 6.622049 1.192364 -0.876672
H 0.799325 -2.074581 1.394042
H 0.459719 -0.318131 1.592554
H -3.427995 1.906640 -1.857624
H -4.209540 2.528771 -0.381941
H -5.948304 0.838599 -0.864332
H -5.616789 -0.782133 -0.205692
H 8.049012 1.198764 1.217067
H 8.397105 -0.525753 0.985253
H -1.331877 1.425104 -0.483623
H -2.159709 2.151526 0.944216
H -5.440618 1.818080 1.441069
H -5.236313 0.135115 2.054044
H -1.496628 -2.792977 -1.330305
H 9.531301 -0.004934 -1.235719
H 10.299545 0.892969 0.104897
H 9.177333 1.729994 -1.006031
H -0.878535 3.773392 -0.372215
H -7.526130 0.917849 2.258694


