%chk=000089576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089576

0 1
 O   -1.316900       1.015600     -0.1040000    
 N    4.127100       1.663000     -5.3800002E-02
 N    3.464900      -4.153600     -0.2400000    
 C    2.291100      0.4126000      0.1531000    
 C    3.436300     -0.4034000      0.3706000    
 C    2.752200       1.704100     -0.1110000    
 C    3.440800      -1.846600      0.6834000    
 C    4.549800      0.3935000      0.2363000    
 C   0.9021000      0.1758000      0.1555000    
 C    1.890300       2.774900     -0.3736000    
 C   2.8000001E-02   1.237200     -0.1055000    
 C    3.490500      -2.733700     -0.5742000    
 C   0.5166000       2.516000     -0.3658000    
 C   -1.753600     -0.3141000      0.1690000    
 C   -3.251500     -0.3625000      9.4999999E-02
 C   -4.005400     -0.1206000       1.238000    
 C   -3.872200     -0.6483000      -1.115900    
 C   -5.397900     -0.1653000       1.169300    
 C   -5.264800     -0.6930000      -1.184500    
 C   -6.027500     -0.4515000     -4.1800000E-02
 H    4.303200      -2.079600       1.322400    
 H    2.552300      -2.100000       1.275900    
 H    5.604900      0.1729000      0.3203000    
 H    4.735600       2.455700     -0.2047000    
 H   0.5817000     -0.8370000      0.3650000    
 H    2.269800       3.770700     -0.5763000    
 H    4.401400      -2.520100      -1.145300    
 H    2.640000      -2.505200      -1.227300    
 H  -0.1755000       3.330400     -0.5667000    
 H   -1.442400     -0.6282000       1.174200    
 H   -1.351200      -1.019100     -0.5706000    
 H    3.438000      -4.702400      -1.098400    
 H    2.607000      -4.370500      0.2655000    
 H   -3.525800      0.1058000       2.186300    
 H   -3.288500     -0.8355000      -2.012900    
 H   -5.991900      2.3499999E-02   2.058800    
 H   -5.755200     -0.9151000      -2.127800    
 H   -7.111700     -0.4859000     -9.5399998E-02


%chk=000089576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089576

0 1
O -1.325526 0.927481 -0.089360
N 4.198999 1.788738 -0.055834
N 3.508296 -4.174564 -0.226101
C 2.395852 0.401744 0.157471
C 3.602056 -0.381548 0.372847
C 2.799083 1.755522 -0.107790
C 3.687203 -1.860117 0.660517
C 4.675289 0.502171 0.235030
C 1.010501 0.073269 0.176226
C 1.858900 2.781614 -0.356617
C 0.078107 1.100919 -0.072549
C 3.393588 -2.745123 -0.580524
C 0.496777 2.442060 -0.338027
C -1.829279 -0.439899 0.169474
C -3.337321 -0.405452 0.081142
C -4.120053 -0.136922 1.231531
C -3.989055 -0.628216 -1.157398
C -5.529481 -0.089188 1.146826
C -5.398104 -0.581530 -1.246975
C -6.171597 -0.312577 -0.093566
H 4.690719 -2.132751 1.034525
H 2.967714 -2.131376 1.462428
H 5.742048 0.304479 0.327776
H 4.775464 2.615174 -0.193179
H 0.695127 -0.953319 0.383755
H 2.168758 3.812849 -0.558807
H 4.145028 -2.519704 -1.359712
H 2.400483 -2.455868 -1.001455
H -0.277863 3.191835 -0.524458
H -1.493814 -0.764572 1.176513
H -1.400896 -1.131830 -0.585398
H 3.525306 -4.812777 -1.027157
H 2.841558 -4.479571 0.490784
H -3.622191 0.042669 2.192054
H -3.389173 -0.830337 -2.053017
H -6.124649 0.120026 2.042690
H -5.891340 -0.754640 -2.209959
H -7.264914 -0.278171 -0.160606


