%chk=000048731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048731

0 1
 O   -1.178700       1.044800       2.231500    
 O  -0.4116000     -0.3858000      -2.174800    
 O   -2.566300      -3.099600      0.8333000    
 N   -1.958600     -0.9858000       1.502800    
 N   -1.575000      -1.700600     -0.6981000    
 C   -1.256700      0.6726000     -0.1634000    
 C    1.231600       1.189800      0.2891000    
 C  -0.1095000       1.685300     -0.2924000    
 C    1.728100     -0.1364000     -0.3340000    
 C   -2.572700       1.335700     -0.6079000    
 C    2.325200       2.277000      0.1914000    
 C   -1.427200      0.2791000       1.300500    
 C   -1.008300     -0.5018000      -1.104600    
 C    3.083800     -0.6318000      0.1808000    
 C   -2.512500       1.733900      -2.065400    
 C    1.954000       3.581400      0.8850000    
 C    3.506000      -1.917800     -0.5327000    
 C   -2.083100      -1.999500      0.5604000    
 C    4.831400      -2.440500     -1.4000000E-03
 H    1.106100      0.9982000       1.361600    
 H  -0.4062000       2.608400      0.2197000    
 H   7.7699997E-02   1.958500      -1.337200    
 H    1.036000     -0.9453000     -9.7499996E-02
 H    1.808000     -1.9600000E-02  -1.420100    
 H   -2.783400       2.221100      5.7000001E-03
 H   -3.421700      0.6551000     -0.4626000    
 H    3.243700       1.935200      0.6773000    
 H    2.568300       2.477800     -0.8587000    
 H    3.867400      0.1093000     -2.6000000E-03
 H    3.030300     -0.7979000       1.263200    
 H   -1.710900       2.438500      -2.296800    
 H   -2.452400      0.8794000      -2.744400    
 H   -3.446300       2.248800      -2.323200    
 H    1.175800       4.122700      0.3396000    
 H    2.828200       4.239200      0.9337000    
 H    1.608900       3.402900       1.908300    
 H    2.738300      -2.688600     -0.3968000    
 H    3.595700      -1.735500      -1.609900    
 H   -2.211100      -1.224800       2.457700    
 H   -1.544400      -2.466400      -1.365500    
 H    4.764500      -2.664100       1.068100    
 H    5.112700      -3.360200     -0.5237000    
 H    5.630500      -1.707400     -0.1503000    


%chk=000048731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048731

0 1
O -1.179229 0.740981 2.210890
O -0.845518 -0.168049 -2.545654
O -2.139002 -3.456449 0.464450
N -1.663290 -1.322623 1.295614
N -1.568932 -1.744581 -1.024026
C -1.244375 0.622535 -0.244562
C 1.307675 1.228951 0.214658
C -0.076025 1.651250 -0.356193
C 1.809254 -0.125418 -0.359405
C -2.642859 1.370582 -0.431800
C 2.341716 2.364342 -0.039310
C -1.325567 0.040901 1.176007
C -1.166009 -0.432779 -1.358317
C 3.141545 -0.631611 0.242621
C -2.790682 2.181034 -1.733476
C 1.975421 3.731719 0.581010
C 3.471567 -2.083975 -0.173694
C -1.819878 -2.259259 0.258515
C 4.813248 -2.584290 0.403323
H 1.204465 1.117119 1.314830
H -0.405823 2.565668 0.167660
H 0.032247 1.897462 -1.429415
H 1.048301 -0.912280 -0.169015
H 1.902155 -0.050187 -1.462610
H -2.745339 2.038472 0.444411
H -3.457408 0.621204 -0.366421
H 3.316778 2.048419 0.377159
H 2.491308 2.477095 -1.133788
H 3.977298 0.024601 -0.070839
H 3.093216 -0.570872 1.350563
H -2.062641 3.008467 -1.783924
H -2.652762 1.554595 -2.630633
H -3.803336 2.622675 -1.771867
H 1.098205 4.193445 0.093147
H 2.816555 4.442427 0.482500
H 1.746095 3.628110 1.658561
H 2.652588 -2.754688 0.158924
H 3.495314 -2.148939 -1.280742
H -1.800263 -1.684980 2.245106
H -1.612522 -2.423763 -1.791040
H 4.804513 -2.554500 1.509340
H 5.023987 -3.624756 0.095011
H 5.653608 -1.952754 0.058131


