%chk=000097474.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097474

0 1
 O  -0.1830000      -1.524200      -1.129700    
 O    4.434300     -0.6623000      0.5659000    
 N    2.154100     -0.9601000      4.8500001E-02
 C   0.3505000      0.6172000     -0.3549000    
 C    1.666700      0.3456000     -5.9000000E-02
 C  -0.6145000     -0.5020000     -0.5758000    
 C   -2.007900     -0.4221000     -0.1677000    
 C  -0.1371000       1.901300     -0.4624000    
 C    2.542500       1.412800      0.1402000    
 C   0.7387000       2.968500     -0.2631000    
 C    2.078500       2.724400      3.8199998E-02
 C   -2.487300      0.7303000      0.4551000    
 C   -2.864900      -1.498000     -0.3986000    
 C   -3.823900      0.8068000      0.8469000    
 C   -4.201500      -1.421500     -7.0000002E-03
 C    3.459200      -1.372100      0.3417000    
 C   -4.680900     -0.2691000      0.6159000    
 C    3.576700      -2.875500      0.3655000    
 H   -1.107800       2.156100     -0.8756000    
 H    3.592400       1.312300      0.3736000    
 H    1.475500      -1.702300     -9.9399999E-02
 H   0.3884000       3.989600     -0.3843000    
 H    2.761500       3.556400      0.1830000    
 H   -1.892100       1.538300      0.8534000    
 H   -2.516500      -2.407300     -0.8811000    
 H   -4.189800       1.686400       1.369100    
 H   -4.868600      -2.260000     -0.1845000    
 H   -5.719200     -0.2135000      0.9299000    
 H    2.939600      -3.283000       1.155500    
 H    4.613500      -3.163300      0.5604000    
 H    3.270600      -3.287600     -0.6003000    


%chk=000097474-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097474

0 1
O -0.178929 -1.809031 -0.355631
O 4.543902 -0.606143 0.590345
N 2.263995 -0.958589 0.097366
C 0.352561 0.549939 -0.223208
C 1.776963 0.356759 -0.037458
C -0.594421 -0.596679 -0.209826
C -2.068723 -0.393381 -0.004694
C -0.124035 1.873081 -0.462352
C 2.638935 1.489144 -0.003611
C 0.740213 2.979948 -0.464163
C 2.120226 2.779834 -0.211742
C -2.594261 0.571884 0.897383
C -2.960226 -1.284152 -0.661701
C -3.986197 0.654316 1.119065
C -4.350490 -1.186146 -0.454776
C 3.564643 -1.384814 0.386532
C -4.868157 -0.214649 0.435964
C 3.722060 -2.901753 0.440448
H -1.186005 2.018627 -0.679502
H 3.703384 1.324707 0.172533
H 1.527222 -1.673634 -0.078440
H 0.350757 3.983220 -0.663462
H 2.803487 3.636427 -0.196272
H -1.916500 1.228487 1.452507
H -2.541789 -2.048281 -1.324697
H -4.380532 1.389663 1.828776
H -5.029905 -1.867100 -0.978637
H -5.948547 -0.143344 0.603917
H 4.077815 -3.189923 1.445051
H 4.499947 -3.207688 -0.280275
H 2.790309 -3.448627 0.219962


