%chk=000018883.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018883

0 1
 O    3.912500      -2.622200     -5.5599999E-02
 O    1.807200      -3.085300      0.3593000    
 N   -2.078900      6.5000001E-03 -2.6799999E-02
 N    1.293900       3.090300      0.1806000    
 N    2.729000      -2.260700      0.1498000    
 C   -1.727600       1.146100      0.8318000    
 C   -2.047800      0.4051000      -1.431000    
 C   -3.395700     -0.5101000      0.3349000    
 C  -0.3783000       1.679700      0.5559000    
 C   0.8102000      0.9204000      0.3673000    
 C   -2.378200     -0.7857000      -2.327200    
 C   -3.392000      -1.005800       1.778800    
 C    1.844300       1.829300      0.1335000    
 C  -4.8799999E-02   3.010100      0.4356000    
 C    1.106400     -0.4571000      0.3732000    
 C    3.165200       1.427800     -9.5899999E-02
 C   -2.331400     -0.4017000      -3.798100    
 C   -4.748100      -1.569600       2.174100    
 C    2.423000     -0.8734000      0.1453000    
 C    3.435100      5.6299999E-02 -8.5400000E-02
 H   -1.684700      0.8595000       1.886800    
 H   -2.478500       1.943300      0.7452000    
 H   -2.758100       1.220200      -1.625400    
 H   -1.058200      0.7656000      -1.731300    
 H   -4.179200      0.2458000      0.1932000    
 H   -3.669200      -1.386100     -0.2581000    
 H   -1.676300      -1.608500      -2.145400    
 H   -3.390100      -1.166100      -2.165600    
 H   -2.624400      -1.776900       1.917500    
 H   -3.193700     -0.2063000       2.497100    
 H  -0.6473000       3.907600      0.5076000    
 H    1.807500       3.950400      4.6399999E-02
 H   0.3117000      -1.171600      0.5654000    
 H    3.953500       2.151200     -0.2754000    
 H   -3.052700      0.3912000      -4.021100    
 H   -1.334200     -4.8400000E-02  -4.079600    
 H   -2.572700      -1.266300      -4.424700    
 H   -5.531300     -0.8097000       2.085400    
 H   -5.020300      -2.419600       1.540100    
 H   -4.727400      -1.916000       3.212300    
 H    4.463400     -0.2507000     -0.2642000    


%chk=000018883-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018883

0 1
O 3.683911 -2.828037 0.395014
O 1.445705 -3.127244 0.709188
N -2.254352 0.260748 -0.096422
N 1.470443 3.131669 0.013263
N 2.475492 -2.372985 0.497352
C -1.806789 1.434172 0.701085
C -2.375099 0.565778 -1.547403
C -3.470091 -0.371314 0.482268
C -0.388012 1.848380 0.397809
C 0.781511 0.983544 0.344112
C -2.247444 -0.685081 -2.442280
C -3.171816 -1.269881 1.702921
C 1.932629 1.820976 0.102371
C 0.073300 3.144548 0.187855
C 0.954614 -0.412508 0.470415
C 3.242913 1.296205 -0.004126
C -2.372450 -0.338855 -3.941900
C -4.454102 -1.913228 2.273691
C 2.265789 -0.916847 0.365630
C 3.405310 -0.090092 0.132312
H -1.877780 1.149361 1.768515
H -2.484887 2.317153 0.566731
H -3.336749 1.095021 -1.776635
H -1.559150 1.265612 -1.810652
H -4.234262 0.398648 0.765681
H -3.935661 -0.998239 -0.300197
H -1.270036 -1.160797 -2.236840
H -3.021480 -1.429656 -2.171962
H -2.453834 -2.052732 1.393377
H -2.673047 -0.681875 2.498646
H -0.485327 4.078277 0.154123
H 2.048249 3.951917 -0.157832
H 0.103548 -1.078789 0.624650
H 4.107992 1.942014 -0.186796
H -3.356526 0.113720 -4.169262
H -1.591538 0.381561 -4.251270
H -2.263626 -1.241853 -4.569236
H -5.178753 -1.142519 2.599304
H -4.954236 -2.545565 1.515850
H -4.225349 -2.551944 3.145553
H 4.388788 -0.560664 0.061393


