%chk=000126986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126986

0 1
 O  -0.9857000      0.7825000      0.4450000    
 O   0.3344000       3.249600      0.1860000    
 N    2.501500      0.2231000      0.3099000    
 N    4.844100      -1.391700     -0.2427000    
 C   -2.072800     -8.6000003E-02  0.1220000    
 C   -2.969500      0.6197000     -0.9077000    
 C   -2.850500     -0.3915000       1.412100    
 C   -4.285500     -0.1171000      -1.157800    
 C   -4.166900      -1.125500       1.156200    
 C   -5.035500     -0.3852000      0.1436000    
 C    1.836700       1.446100      0.7551000    
 C   0.9103000       2.038600     -0.3050000    
 C  -0.2211000       1.097900     -0.7070000    
 C    3.347800      0.4857000     -0.8613000    
 C    3.293100     -0.3665000       1.397300    
 C    4.051100     -0.7943000      -1.319600    
 C    3.997000      -1.641300      0.9257000    
 C   -1.498100      -1.319800     -0.4451000    
 C   -1.030500      -2.324500     -0.9066000    
 H   -2.490000      0.7089000      -1.889500    
 H   -3.184800       1.642800     -0.5717000    
 H   -3.062600      0.5515000       1.934400    
 H   -2.231100     -0.9751000       2.105800    
 H   -4.092100      -1.066800      -1.670900    
 H   -4.916800      0.4786000      -1.827100    
 H   -4.714700      -1.231700       2.099500    
 H   -3.964800      -2.140600      0.7938000    
 H   -5.365600      0.5676000      0.5756000    
 H   -5.938400     -0.9701000     -6.4999998E-02
 H    2.574100       2.205000       1.052600    
 H    1.252200       1.246700       1.663300    
 H    1.463000       2.333000      -1.202100    
 H   0.2074000      0.2183000      -1.195000    
 H  -0.8161000       1.659400      -1.432300    
 H    4.094400       1.260800     -0.6423000    
 H    2.756800      0.8255000      -1.716900    
 H    2.636700     -0.6253000       2.237000    
 H    4.037900      0.3489000       1.771400    
 H    3.315700      -1.520500      -1.689200    
 H    4.716900     -0.5592000      -2.157300    
 H    4.622100      -2.028300       1.737900    
 H    3.257900      -2.418600      0.6925000    
 H    5.248400      -2.270500     -0.5645000    
 H    1.063900       3.853500      0.4070000    
 H  -0.6145000      -3.215100      -1.316100    


%chk=000126986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126986

0 1
O -0.953571 1.021473 0.214570
O 0.458116 3.573399 -0.223692
N 2.540754 0.422954 0.115587
N 4.486398 -1.663860 -0.073350
C -2.004025 -0.015863 0.035641
C -3.105751 0.457948 -0.959178
C -2.610950 -0.167499 1.456736
C -4.337166 -0.479846 -0.946169
C -3.839650 -1.104482 1.475379
C -4.922359 -0.627742 0.478083
C 1.826802 1.636794 0.561082
C 0.995363 2.250263 -0.592161
C -0.190495 1.373041 -0.994263
C 3.887412 0.690094 -0.441589
C 2.566206 -0.677827 1.109894
C 4.459925 -0.586197 -1.086134
C 3.137832 -1.952975 0.463269
C -1.390627 -1.291200 -0.420133
C -0.848721 -2.335597 -0.791179
H -2.696332 0.525320 -1.983824
H -3.401936 1.478355 -0.644875
H -2.899755 0.849723 1.784367
H -1.825219 -0.527472 2.145009
H -4.042638 -1.477164 -1.329647
H -5.104021 -0.083109 -1.638998
H -4.252387 -1.144814 2.501504
H -3.524164 -2.134380 1.214787
H -5.320848 0.352368 0.812988
H -5.773063 -1.335963 0.468405
H 2.533877 2.413814 0.951635
H 1.130499 1.381736 1.377462
H 1.644541 2.350062 -1.492054
H 0.202510 0.456449 -1.477458
H -0.826120 1.936729 -1.705170
H 4.596057 1.037377 0.352838
H 3.812621 1.486694 -1.205776
H 1.531308 -0.867621 1.446327
H 3.192069 -0.420067 2.000676
H 3.827157 -0.840728 -1.972560
H 5.490813 -0.392873 -1.436365
H 3.214546 -2.750823 1.224791
H 2.420485 -2.285782 -0.327887
H 4.975083 -2.506352 -0.401057
H 1.180759 4.102435 0.201537
H -0.385533 -3.248292 -1.118048


