%chk=000021558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021558

0 1
 O    3.712600       3.286400     -5.8400001E-02
 N   -6.585300     -0.7169000     -0.1530000    
 N   0.8214000     -0.5437000     -4.9000001E-03
 N    3.053200      -2.201100      5.4499999E-02
 C   -2.892200      0.2104000     -0.1056000    
 C   -4.135200     -0.6820000     -9.3400002E-02
 C   -1.609300     -0.6207000     -6.1600000E-02
 C   -5.413500      0.1507000     -0.1746000    
 C  -0.3708000      0.2697000     -3.4400001E-02
 C   -7.811600      6.5200001E-02 -0.2196000    
 C    2.106600     -2.5200000E-02 -3.3000000E-03
 C   -7.893200       1.023100      0.9656000    
 C   -9.012600     -0.8749000     -0.2480000    
 C    3.235400     -0.8672000      2.7400000E-02
 C    4.523200     -0.2917000      2.8800000E-02
 C    2.288500       1.375300     -3.1800002E-02
 C    3.559800       1.935400     -3.0200001E-02
 C    4.676500       1.104900       0.000000    
 C    5.629900      -1.150900      5.9599999E-02
 C    5.445400      -2.525800      8.7600000E-02
 C    4.147700      -2.995600      8.3700001E-02
 C    2.523400       4.075000     -8.8399999E-02
 H   -2.920600      0.8895000      0.7553000    
 H   -2.893900      0.8327000      -1.008800    
 H   -4.091800      -1.378200     -0.9407000    
 H   -4.141600      -1.287400      0.8220000    
 H   -1.617300      -1.266800      0.8256000    
 H   -1.569500      -1.285000     -0.9342000    
 H   -5.396400      0.8303000      0.6829000    
 H   -5.400300      0.7537000      -1.090600    
 H  -0.3762000      0.9043000     -0.9289000    
 H  -0.4138000      0.9131000      0.8527000    
 H   -7.831500      0.6499000      -1.148300    
 H   -6.545300      -1.367700     -0.9370000    
 H   0.7265000      -1.553200      1.9900000E-02
 H   -7.209800       1.872200      0.8662000    
 H   -7.689300      0.5157000       1.915400    
 H   -8.899800       1.451800       1.038200    
 H   -8.964600      -1.550500      -1.109500    
 H   -9.947000     -0.3084000     -0.3251000    
 H   -9.065000      -1.486800      0.6597000    
 H    1.405200       2.001600     -5.3300001E-02
 H    5.670400       1.547900      1.1000000E-03
 H    6.642200     -0.7533000      6.1900001E-02
 H    6.289600      -3.204700      0.1116000    
 H    3.941900      -4.060700      0.1048000    
 H    2.834300       5.124900     -0.1086000    
 H    1.925600       3.938400      0.8192000    
 H    1.944700       3.897800      -1.001300    


%chk=000021558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021558

0 1
O 4.169723 3.312942 -0.138885
N -6.659108 -0.693944 -0.047294
N 0.860521 -0.364367 -0.011503
N 2.882948 -2.151425 0.075803
C -2.926147 0.333419 -0.062125
C -4.176257 -0.573586 -0.041427
C -1.608041 -0.470131 -0.028746
C -5.496830 0.220843 -0.073727
C -0.361108 0.435475 -0.045181
C -7.998195 -0.062231 -0.191385
C 2.138724 0.146793 -0.022602
C -8.352923 0.759202 1.067948
C -9.041164 -1.172523 -0.433279
C 3.228783 -0.815374 0.024540
C 4.595619 -0.345970 0.016705
C 2.439045 1.525967 -0.076266
C 3.801503 1.956663 -0.084340
C 4.871706 1.049910 -0.038290
C 5.615098 -1.357456 0.066106
C 5.258211 -2.707369 0.117704
C 3.873058 -3.065970 0.120773
C 3.108613 4.318283 -0.200561
H -2.959606 1.022292 0.807375
H -2.946714 0.971694 -0.969917
H -4.141022 -1.262775 -0.912630
H -4.170103 -1.209609 0.865101
H -1.585743 -1.104467 0.880496
H -1.570300 -1.155562 -0.899820
H -5.541613 0.878791 0.815646
H -5.500368 0.894912 -0.970793
H -0.379916 1.072946 -0.957442
H -0.394863 1.126759 0.826655
H -8.018541 0.634653 -1.070526
H -6.540283 -1.445707 -0.742920
H 0.817513 -1.389205 0.032216
H -7.646305 1.593538 1.226963
H -8.323445 0.106918 1.959365
H -9.366023 1.191717 0.973601
H -8.810888 -1.749155 -1.350462
H -10.051986 -0.742900 -0.549615
H -9.051425 -1.873481 0.421217
H 1.625760 2.254608 -0.111197
H 5.898093 1.427405 -0.045883
H 6.668820 -1.055317 0.062632
H 6.019499 -3.493180 0.155804
H 3.568690 -4.118156 0.160917
H 3.633850 5.284026 -0.244393
H 2.465612 4.287096 0.700770
H 2.484128 4.194509 -1.106929


