%chk=000041544.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041544

0 1
 O    5.640800       2.284000     -0.9410000    
 O    2.878600      -1.856800      0.5033000    
 O   -2.509600     -0.6428000       1.621000    
 N    3.827100      0.7315000      0.6087000    
 N   0.6870000      -1.018500      0.5811000    
 N   -2.418500      0.1350000     -0.6075000    
 C    4.291100       2.050200       1.061700    
 C    3.827300      0.6748000     -0.8597000    
 C    5.674600       2.338600      0.4857000    
 C    5.222000      0.9946000      -1.389800    
 C    2.497100      0.4391000       1.139100    
 C    2.073600     -0.9526000      0.7023000    
 C  -9.4200000E-02  -2.134700      0.1982000    
 C   -1.474800      -2.033200      0.1278000    
 C   -2.175600     -0.7934000      0.4383000    
 C   0.5557000      -3.322600     -0.1002000    
 C   -2.224400      -3.147200     -0.2505000    
 C   -3.111000       1.377100     -0.3192000    
 C  -0.1940000      -4.436400     -0.4786000    
 C   -1.583900      -4.348600     -0.5537000    
 C   -1.974900     -0.1501000      -1.981400    
 C   -4.024500       1.381100      0.6989000    
 C   -2.809500       2.472000      -1.081800    
 C   -4.689900       2.575100      0.9764000    
 C   -3.474900       3.666100     -0.8041000    
 C   -4.415100       3.717500      0.2250000    
 H    4.348300       2.077700       2.155800    
 H    3.591800       2.832100      0.7378000    
 H    3.112600       1.404100      -1.264200    
 H    3.551900     -0.3095000      -1.249100    
 H    5.995300       3.345200      0.7725000    
 H    6.424700       1.632000      0.8613000    
 H    5.956300      0.2414000      -1.078900    
 H    5.209700       1.013100      -2.484300    
 H    1.768800       1.190500      0.8096000    
 H    2.513100      0.4369000       2.235500    
 H   0.1627000     -0.1738000      0.7949000    
 H    1.622900      -3.479000     -6.9499999E-02
 H   -3.308200      -3.091800     -0.3129000    
 H   0.3031000      -5.372700     -0.7154000    
 H   -2.167600      -5.215800     -0.8484000    
 H  -0.9740000      0.2713000      -2.116500    
 H   -2.670900      0.2916000      -2.701500    
 H   -1.935400      -1.220200      -2.190100    
 H   -4.344400      0.5084000       1.253300    
 H   -2.069600       2.463100      -1.874800    
 H   -5.437300       2.611100       1.763900    
 H   -3.258800       4.556900      -1.386900    
 H   -4.936000       4.646300      0.4386000    


%chk=000041544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041544

0 1
O 7.123425 1.724282 0.485307
O 3.120175 -1.618818 -0.478488
O -1.205290 0.710717 0.532532
N 4.370778 0.795509 0.501425
N 1.002505 -0.691118 -0.038514
N -3.036541 0.161202 -0.832859
C 4.765924 2.045728 1.200946
C 5.257278 0.552826 -0.670095
C 6.237757 1.950175 1.638079
C 6.718774 0.485917 -0.207198
C 2.940820 0.772435 0.166865
C 2.394485 -0.639483 -0.140498
C 0.141254 -1.786438 -0.275865
C -1.278925 -1.546043 -0.328259
C -1.823846 -0.156934 -0.184518
C 0.628548 -3.113674 -0.438355
C -2.158502 -2.659495 -0.414843
C -3.875298 1.252564 -0.395334
C -0.271456 -4.188075 -0.566373
C -1.670637 -3.973652 -0.527235
C -3.352482 -0.443324 -2.150570
C -3.806135 1.756601 0.935429
C -4.853023 1.793566 -1.275192
C -4.686441 2.771109 1.357520
C -5.727492 2.813709 -0.839587
C -5.652152 3.313297 0.477065
H 4.127961 2.178650 2.096018
H 4.639754 2.946378 0.547076
H 5.147234 1.370748 -1.428131
H 4.969857 -0.406029 -1.131180
H 6.577933 2.895158 2.093726
H 6.351174 1.119277 2.367560
H 6.850379 -0.382244 0.472967
H 7.403508 0.393588 -1.066218
H 2.692364 1.423567 -0.714908
H 2.375009 1.185722 1.024199
H 0.494204 0.146423 0.304634
H 1.707671 -3.274825 -0.441958
H -3.238647 -2.482153 -0.370779
H 0.124638 -5.204043 -0.672605
H -2.366031 -4.817213 -0.580262
H -3.273787 0.323461 -2.944105
H -4.372795 -0.866008 -2.162956
H -2.632656 -1.237520 -2.380611
H -3.058364 1.371179 1.628839
H -4.950906 1.431746 -2.301336
H -4.613144 3.141405 2.386089
H -6.469811 3.213695 -1.539265
H -6.329949 4.105153 0.812520


