%chk=000157490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157490

0 1
 O   -3.786600      -1.207400       1.612600    
 O  -0.8657000      -2.061600      0.9519000    
 O   -1.621000      -2.382400      -1.207500    
 O    6.410400     -0.7692000     -0.8200000    
 N   -1.430900       2.050500      0.4797000    
 N    1.528400     -0.6925000     -0.9646000    
 C   -1.790700      0.6194000      0.5335000    
 C  -0.9029000     -0.1938000     -0.4716000    
 C   -2.095300       1.567200      -1.846500    
 C   -3.306900      0.6294000      0.1409000    
 C   -1.236000      0.2873000      -1.910400    
 C   -3.474800       1.191700      -1.285700    
 C   -1.411100       2.570100     -0.8948000    
 C   0.5850000     -5.6100000E-02 -0.1887000    
 C  -0.3441000       2.526600       1.330400    
 C   -4.025300     -0.7090000      0.3020000    
 C   -1.180400      -1.670100     -0.3157000    
 C    1.271300      0.6580000      0.7836000    
 C   0.6477000       1.483900       1.858400    
 C    2.671400      0.4407000      0.5714000    
 C   -5.521100     -0.5729000      7.7100001E-02
 C    2.797700     -0.4054000     -0.5288000    
 C    3.847600      0.8834000       1.214200    
 C    4.036200     -0.8310000      -1.023000    
 C   -1.082000      -3.446800       1.239100    
 C    5.094300      0.4674000      0.7328000    
 C    5.184900     -0.3772000     -0.3703000    
 H   -1.713000      0.2476000       1.561100    
 H   -2.199800       1.999700      -2.847400    
 H   -3.801300       1.327100      0.8361000    
 H   -1.773600     -0.4614000      -2.503000    
 H  -0.3265000      0.5166000      -2.480300    
 H   -4.123400       2.076000      -1.261400    
 H   -3.945500      0.4716000      -1.964300    
 H  -0.3873000       2.745000      -1.249100    
 H   -1.937100       3.531200     -0.9190000    
 H  -0.8058000       3.006500       2.202600    
 H   0.2173000       3.327600      0.8312000    
 H   -3.667000      -1.448000     -0.4136000    
 H   0.1595000      0.8199000       2.582200    
 H    1.423900       2.012800       2.424400    
 H    1.315200      -1.286800      -1.753700    
 H   -5.773400     -0.2602000     -0.9393000    
 H   -6.020900      -1.530000      0.2656000    
 H   -5.959000      0.1436000      0.7812000    
 H   -4.234000      -2.067400       1.687400    
 H    3.797600       1.542400       2.076300    
 H    4.094300      -1.490800      -1.882900    
 H   -2.131400      -3.710900       1.077200    
 H  -0.8354000      -3.618100       2.290200    
 H  -0.4274000      -4.065700      0.6184000    
 H    5.997000      0.8120000       1.231400    
 H    6.292400      -1.352000      -1.589700    


%chk=000157490-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157490

0 1
O -3.699665 -1.314528 1.477880
O -0.679915 -2.219245 0.920247
O -1.832111 -2.532407 -1.071705
O 6.524639 -0.615149 -0.782564
N -1.365598 2.011719 0.412763
N 1.525891 -0.671733 -1.020358
C -1.817911 0.612926 0.487709
C -0.910026 -0.275584 -0.490435
C -2.036414 1.535296 -1.898224
C -3.330470 0.639857 0.091092
C -1.272959 0.184366 -1.950415
C -3.455418 1.282021 -1.332523
C -1.285467 2.528663 -0.975720
C 0.564577 -0.043551 -0.188650
C -0.399570 2.527641 1.401244
C -4.113374 -0.687079 0.194865
C -1.202267 -1.775861 -0.288718
C 1.239238 0.666986 0.808072
C 0.612508 1.466425 1.922752
C 2.662046 0.473675 0.582291
C -5.634248 -0.450178 0.186878
C 2.810362 -0.374918 -0.570042
C 3.833141 0.931976 1.241872
C 4.071588 -0.769595 -1.070565
C -1.018514 -3.606691 1.296830
C 5.097212 0.550337 0.760326
C 5.208062 -0.291730 -0.383436
H -1.722524 0.231040 1.515031
H -2.101017 1.962461 -2.916608
H -3.775309 1.326711 0.836793
H -1.900281 -0.584467 -2.437903
H -0.355179 0.302116 -2.555917
H -4.021935 2.230189 -1.287897
H -4.000417 0.608055 -2.022930
H -0.226973 2.626380 -1.316225
H -1.747409 3.536626 -1.043895
H -0.927532 2.967924 2.274371
H 0.160988 3.349618 0.914976
H -3.839289 -1.363547 -0.639420
H 0.098160 0.793411 2.637094
H 1.394508 1.988387 2.506919
H 1.298321 -1.272257 -1.810461
H -5.954078 0.062825 -0.738211
H -6.189005 -1.407330 0.239798
H -5.928864 0.174066 1.050525
H -4.302199 -2.079385 1.659778
H 3.763184 1.577364 2.124682
H 4.168801 -1.417652 -1.951083
H -2.112912 -3.703814 1.396994
H -0.515470 -3.766892 2.260728
H -0.654965 -4.316012 0.533971
H 6.019037 0.883716 1.245708
H 6.512522 -1.204672 -1.576681


