%chk=000140028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000140028

0 1
 O   -2.929300      0.1219000       1.517400    
 O    2.915500      0.1142000      -1.509800    
 N   -1.400200       2.541600     -0.3272000    
 N    1.378500       2.532100      0.3306000    
 C   -3.479800       1.177800     -0.5697000    
 C    3.469500       1.184800      0.5689000    
 C  -0.7427000       3.724700      0.2025000    
 C   0.7182000       3.721800     -0.2118000    
 C   -2.661200       2.373600     -0.1160000    
 C    2.634100       2.369400      0.1166000    
 C   -3.541500      5.9400000E-02  0.4534000    
 C    3.536100      6.2899999E-02 -0.4502000    
 C   -4.366400      -1.146900      0.1531000    
 C    4.376700      -1.132700     -0.1512000    
 C   -3.386300       3.432300      0.6802000    
 C    3.341400       3.433000     -0.6892000    
 C   -5.043400      -1.201600      -1.044000    
 C    5.063100      -1.175000       1.041100    
 C   -4.418600      -2.159100       1.084400    
 C    4.433400      -2.148200      -1.078800    
 C   -5.814600      -2.329500      -1.325100    
 C    5.849000      -2.293000       1.320900    
 C   -5.189700      -3.287000      0.8032000    
 C    5.219200      -3.266200     -0.7989000    
 C   -5.887700      -3.372000     -0.4015000    
 C    5.926900      -3.338400      0.4011000    
 H   -3.007400      0.7925000      -1.480400    
 H   -4.489700       1.530700     -0.8016000    
 H    3.007800      0.7980000       1.484400    
 H    4.476900       1.549700      0.7922000    
 H  -0.7885000       3.738400       1.297900    
 H   -1.197300       4.641900     -0.1888000    
 H   0.7637000       3.725000      -1.307300    
 H    1.174100       4.639600      0.1758000    
 H   -3.369200       4.391100      0.1558000    
 H   -2.957600       3.531400       1.680600    
 H   -4.436100       3.150200      0.8080000    
 H    3.322300       4.394200     -0.1694000    
 H    2.909700       3.522300      -1.689300    
 H    4.393300       3.160100     -0.8219000    
 H   -5.011800     -0.4182000      -1.792200    
 H    5.028200     -0.3889000       1.786300    
 H   -3.883400      -2.112800       2.027600    
 H    3.890700      -2.111700      -2.018100    
 H   -6.357400      -2.397000      -2.263500    
 H    6.399400      -2.350600       2.255500    
 H   -5.246800      -4.099200       1.522000    
 H    5.280200      -4.080600      -1.514800    
 H   -6.487800      -4.250400     -0.6205000    
 H    6.538600      -4.209100      0.6191000    


%chk=000140028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000140028

0 1
O -1.598588 0.067085 1.716620
O 0.730124 0.142737 -0.778405
N -1.129432 3.425470 -0.079688
N 1.720577 3.594680 0.272883
C -2.445738 1.420215 -0.151150
C 2.709691 1.443971 -0.150307
C -0.498443 4.608017 0.548368
C 0.912840 4.783144 -0.071817
C -1.970597 2.672580 0.575348
C 1.969825 2.684491 -0.631274
C -2.144201 0.099586 0.576196
C 1.893559 0.146307 -0.280039
C -2.529473 -1.183490 -0.114127
C 2.518228 -1.134617 0.206095
C -2.510360 2.907483 1.979873
C 1.586585 2.739864 -2.107715
C -3.133237 -1.217088 -1.399220
C 3.824779 -1.186613 0.762943
C -2.276800 -2.408370 0.561888
C 1.762842 -2.334903 0.100420
C -3.478794 -2.449852 -1.993775
C 4.365065 -2.414428 1.201454
C -2.623121 -3.638685 -0.030507
C 2.303353 -3.559787 0.537418
C -3.226569 -3.662915 -1.311881
C 3.607029 -3.603434 1.089151
H -1.943214 1.397910 -1.135308
H -3.540511 1.467997 -0.333648
H 2.981268 1.597570 0.911046
H 3.655973 1.313175 -0.717455
H -0.393765 4.521915 1.649294
H -1.096357 5.516131 0.324766
H 0.793670 4.965744 -1.160088
H 1.388849 5.671009 0.386830
H -2.472577 3.968390 2.277340
H -1.925398 2.303499 2.697588
H -3.556385 2.558850 2.052006
H 2.000413 3.641425 -2.599380
H 0.486313 2.773392 -2.192141
H 1.948986 1.850483 -2.647086
H -3.328759 -0.288013 -1.944091
H 4.422242 -0.274317 0.859921
H -1.809856 -2.360582 1.551653
H 0.755462 -2.276293 -0.325298
H -3.941530 -2.466559 -2.986679
H 5.372529 -2.446062 1.630598
H -2.428611 -4.576767 0.501350
H 1.713659 -4.479162 0.451572
H -3.497531 -4.618724 -1.774534
H 4.028084 -4.555955 1.430394


