%chk=000127866.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127866

0 1
 O    1.455400       1.741200     -0.9886000    
 O    1.660800      -1.103700      -2.697400    
 O   0.1895000      -1.374300     -0.9861000    
 N    4.333700      0.7264000       1.004100    
 N   -3.035100      -2.187900       1.049200    
 N   -3.598900      -2.038300      -1.138800    
 N   -2.507900      -3.152700      0.2822000    
 N   -2.815700      -3.103500      -1.021400    
 C    3.459400       2.944400      0.5970000    
 C    4.729600       3.660700      0.2693000    
 C    3.517100       3.843400     -0.5958000    
 C    3.383300       1.466600      0.3888000    
 C    2.379200      0.9386000     -0.3970000    
 C    2.350000     -0.4389000     -0.5607000    
 C    4.303000     -0.6101000      0.8434000    
 C    3.315900      -1.243000      5.9400000E-02
 C    5.262300      -1.409400       1.459200    
 C    3.313800      -2.640600     -8.6599998E-02
 C    1.292800      -1.011400      -1.393100    
 C   0.1235000       1.541900     -0.6623000    
 C    5.260400      -2.798800       1.314300    
 C    4.285200      -3.415700      0.5405000    
 C  -0.2254000       1.368600      0.6643000    
 C  -0.8206000       1.521600      -1.672200    
 C   -2.534200       1.144400     -1.1400000E-02
 C   -1.566200       1.168200      0.9927000    
 C   -2.161300       1.321100      -1.343800    
 C   -3.924500      0.9371000      0.3295000    
 C   -4.486600     -0.3411000      0.3893000    
 C   -4.717500       2.054100      0.6045000    
 C   -5.831800     -0.5007000      0.7217000    
 C   -6.062700       1.894700      0.9371000    
 C   -3.706400      -1.520000      0.1133000    
 C   -6.619900      0.6173000      0.9955000    
 H    2.908900       3.326000       1.453700    
 H    5.561500       3.105900     -0.1478000    
 H    5.023000       4.486800      0.9059000    
 H    2.995300       4.791300     -0.5386000    
 H    3.562100       3.424700      -1.594100    
 H    6.037100     -0.9504000       2.070700    
 H    2.564100      -3.152500     -0.6846000    
 H    6.022200      -3.395800       1.807200    
 H    4.280600      -4.495300      0.4258000    
 H   0.5061000       1.400800       1.465900    
 H  -0.5313000       1.657900      -2.709800    
 H   -1.840200       1.035400       2.036700    
 H   -2.902900       1.304100      -2.139100    
 H   0.9474000      -1.486000      -3.251700    
 H   -4.302100       3.058700      0.5642000    
 H   -6.283400      -1.488800      0.7718000    
 H   -6.676500       2.765000       1.150300    
 H   -7.667400      0.4932000       1.254200    
 H   -1.909900      -3.876900      0.6654000    


%chk=000127866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127866

0 1
O 1.244611 1.495046 -0.950224
O 0.376527 -1.152945 -1.811543
O 0.599093 -2.497555 0.059655
N 4.620645 0.759995 0.219659
N -3.116834 -2.154356 0.683762
N -3.184691 -1.223164 -1.419886
N -2.115580 -2.611587 -0.115922
N -2.117011 -2.051616 -1.381435
C 3.567392 2.872675 -0.358593
C 4.408379 3.700535 0.646619
C 4.905117 3.525202 -0.780282
C 3.510091 1.394326 -0.196300
C 2.282888 0.671716 -0.479656
C 2.235452 -0.731374 -0.345054
C 4.601656 -0.613616 0.391897
C 3.424503 -1.417369 0.129712
C 5.807934 -1.238201 0.839619
C 3.516061 -2.835635 0.320755
C 1.009133 -1.533173 -0.661001
C -0.099088 1.435739 -0.506742
C 5.865524 -2.621226 1.018668
C 4.710443 -3.419918 0.753298
C -0.489503 0.898214 0.739563
C -1.046615 2.018601 -1.375028
C -2.847650 1.361670 0.166977
C -1.864437 0.857940 1.059407
C -2.413309 1.981371 -1.033638
C -4.302887 1.075934 0.409162
C -4.769068 -0.274486 0.290973
C -5.232071 2.083422 0.759868
C -6.118910 -0.593973 0.554682
C -6.586040 1.762460 1.011649
C -3.771347 -1.277258 -0.150548
C -7.028742 0.423528 0.919343
H 2.652082 3.330364 -0.734355
H 4.918188 3.123486 1.422921
H 4.005614 4.668957 0.956441
H 4.851059 4.371128 -1.471284
H 5.739066 2.834815 -0.932680
H 6.669453 -0.589907 1.025504
H 2.637151 -3.459754 0.146959
H 6.791515 -3.097026 1.358877
H 4.759481 -4.505163 0.894730
H 0.251613 0.501562 1.440626
H -0.707091 2.441441 -2.324549
H -2.178956 0.404066 2.005313
H -3.154456 2.370786 -1.739185
H -0.555895 -1.592996 -1.893415
H -4.884521 3.117922 0.853849
H -6.457487 -1.631221 0.461066
H -7.290901 2.554549 1.287127
H -8.075498 0.174332 1.122723
H -1.257285 -3.083963 0.216117


