%chk=000043884.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043884

2 1
 O  -0.6526000       1.519000      -1.820400    
 O   -1.660900      -1.719700       1.669700    
 N    3.260400       3.039600      0.2363000    
 N    2.161700      -3.524700     -0.1213000    
 N  -2.0600000E-02   1.173300      0.3846000    
 N   -1.129000      -1.788500     -0.5862000    
 C    1.756600       2.865300      0.3931000    
 C    1.237600      -2.371300     -0.2513000    
 C    3.682800       2.577800      -1.151000    
 C    3.622100       4.507100      0.4147000    
 C    3.980000       2.208200       1.288500    
 C    1.757300      -4.417400       1.060300    
 C    2.145700      -4.382500      -1.394200    
 C    3.601500      -3.046700      0.1134000    
 C    1.385500       1.406900      0.1985000    
 C  -0.1738000      -2.869600     -0.5004000    
 C  -0.9383000       1.249700     -0.6566000    
 C   -1.818000      -1.278700      0.5189000    
 C   -2.358700       1.007300     -0.2955000    
 C   -2.767500     -0.2030000      0.2650000    
 C   -3.290900       2.018800     -0.5266000    
 C   -4.108400     -0.4013000      0.5945000    
 C   -4.631800       1.820300     -0.1972000    
 C   -5.040500      0.6103000      0.3632000    
 H    1.263800       3.506200     -0.3480000    
 H    1.478600       3.219700       1.393200    
 H    1.583600      -1.738000      -1.077500    
 H    1.292500      -1.782900      0.6724000    
 H    3.635700       1.488100      -1.217400    
 H    3.033600       3.052200      -1.892900    
 H    4.719900       2.891100      -1.309300    
 H    3.310100       4.820100       1.415500    
 H    4.704600       4.617700      0.3010000    
 H    3.097500       5.087400     -0.3502000    
 H    3.542400       2.423700       2.267700    
 H    3.908800       1.145400       1.044900    
 H    5.036300       2.496400       1.281300    
 H    1.614800      -3.783400       1.940100    
 H   0.8496000      -4.973900      0.8163000    
 H    2.568000      -5.131300       1.238700    
 H    2.303000      -3.725900      -2.254800    
 H    2.959400      -5.111400      -1.322300    
 H    1.197100      -4.919500      -1.469700    
 H    3.898200      -2.431000     -0.7407000    
 H    3.617400      -2.458200       1.035400    
 H    4.253700      -3.920300      0.2029000    
 H    1.637400       1.044000     -0.8013000    
 H    1.870300      0.7552000      0.9291000    
 H  -0.2606000      -3.391100      -1.457500    
 H  -0.5333000      -3.537500      0.2857000    
 H  -0.3493000      0.9732000       1.325000    
 H   -1.311500      -1.394500      -1.504800    
 H   -2.985500       2.967400     -0.9608000    
 H   -4.441600      -1.339800       1.030200    
 H   -5.357500       2.608100     -0.3767000    
 H   -6.084600      0.4558000      0.6194000    


%chk=000043884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043884

2 1
O 0.849203 0.914221 -0.414598
O -1.501632 -2.965727 0.303149
N 3.006330 4.665153 -0.316910
N 1.202191 -5.318802 -0.448987
N 0.515094 2.266259 1.413392
N 0.148483 -1.660496 -0.623777
C 1.684814 4.012962 0.154453
C 1.315095 -3.806387 -0.133870
C 3.905450 3.635179 -1.004847
C 2.649878 5.759865 -1.330636
C 3.753561 5.301212 0.856350
C -0.259506 -5.728649 -0.702639
C 2.060814 -5.681898 -1.657561
C 1.709577 -6.082494 0.776988
C 1.827085 2.900874 1.227804
C 0.737421 -2.863558 -1.228025
C 0.070489 1.283403 0.538226
C -1.020295 -1.795471 0.095269
C -1.327418 0.781156 0.771516
C -1.783229 -0.569778 0.574389
C -2.268837 1.762158 1.206186
C -3.141378 -0.866783 0.871477
C -3.615840 1.445543 1.465502
C -4.052044 0.113289 1.309409
H 1.215899 3.580067 -0.745059
H 1.050479 4.833020 0.532797
H 2.385760 -3.608468 0.047682
H 0.750448 -3.657516 0.798354
H 4.255570 2.898124 -0.268719
H 3.331795 3.130277 -1.796625
H 4.770964 4.157881 -1.439453
H 2.014077 6.513471 -0.841595
H 3.576597 6.232777 -1.689876
H 2.110233 5.306538 -2.176076
H 3.088044 6.017397 1.362166
H 4.073388 4.518987 1.559712
H 4.638991 5.828104 0.469217
H -0.912269 -5.149521 -0.031608
H -0.528866 -5.509688 -1.745702
H -0.349494 -6.811005 -0.525131
H 3.117762 -5.476480 -1.427302
H 1.929515 -6.751789 -1.881030
H 1.740339 -5.086021 -2.524810
H 2.721042 -5.731555 1.033456
H 1.022710 -5.900990 1.617407
H 1.736565 -7.158039 0.544991
H 2.539508 2.126023 0.895567
H 2.156727 3.306191 2.198232
H 1.522096 -2.545473 -1.933555
H -0.050987 -3.387057 -1.799632
H -0.029073 2.475622 2.252103
H 0.530812 -0.710982 -0.813395
H -1.956041 2.808374 1.294346
H -3.461271 -1.905514 0.750852
H -4.312728 2.228511 1.779437
H -5.091299 -0.159295 1.515893


