%chk=000135788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135788

0 1
 O   -3.074900       1.300800     -0.3601000    
 O   -6.113100      2.7200000E-02  -1.807500    
 N   -1.669800     -0.5477000     -0.4232000    
 N   0.9722000      -1.609500     -0.1066000    
 N   -5.175400      0.1064000      0.3504000    
 C  -0.5020000      0.2320000     -0.8307000    
 C   -1.452900      -1.997200     -0.3934000    
 C   0.7359000     -0.1608000     -2.5100000E-02
 C  -0.1930000      -2.349900      0.3994000    
 C   -4.046100     -0.7860000      0.2046000    
 C   -5.528900      0.6761000       1.628900    
 C   -2.893300      8.8799998E-02 -0.2192000    
 C   -6.497400       1.781000       1.257100    
 C   -7.167700       1.268500     -1.2000000E-02
 C    2.176300      -1.976100      0.6378000    
 C   -6.101400      0.4064000     -0.6460000    
 C    3.390600      -1.280800      9.7300000E-02
 C    4.156300     -0.4585000      0.8321000    
 C    5.364800      0.2324000      0.3524000    
 C    5.557200      0.3977000      -1.010200    
 C    6.287800      0.7049000       1.272200    
 C    6.702200       1.052000      -1.464800    
 C    7.432600       1.359400      0.8175000    
 C    7.639800       1.532900     -0.5510000    
 H  -0.6940000       1.303700     -0.7143000    
 H  -0.3431000      4.2399999E-02  -1.899500    
 H   -1.354900      -2.327100      -1.435000    
 H   -2.307700      -2.525700      3.3199999E-02
 H    1.572800      0.4108000     -0.4407000    
 H   0.6062000      0.1517000       1.019900    
 H  -0.3583000      -2.129200       1.462500    
 H  -1.9800000E-02  -3.428900      0.3095000    
 H   -3.844500      -1.284000       1.156500    
 H   -4.264100      -1.510200     -0.5856000    
 H   -6.008200     -0.1013000       2.232700    
 H   -4.643800       1.058400       2.145100    
 H   -5.941600       2.699300       1.029100    
 H   -7.209800       2.009000       2.054600    
 H   -7.458800       2.085300     -0.6767000    
 H   -8.035300      0.6423000      0.2184000    
 H    2.052500      -1.770900       1.709600    
 H    2.351100      -3.055300      0.5413000    
 H    3.637800      -1.515700     -0.9342000    
 H    3.890500     -0.2772000       1.871300    
 H    4.844200      6.0199998E-02  -1.755800    
 H    6.141400      0.5763000       2.341300    
 H    6.861600       1.192100      -2.530000    
 H    8.162900       1.733900       1.528800    
 H    8.530600       2.043500     -0.9048000    


%chk=000135788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135788

0 1
O -3.093468 1.572832 0.114445
O -6.389704 -0.754818 -1.598306
N -1.716229 -0.254226 -0.310732
N 0.942702 -1.311602 -0.030519
N -5.392078 0.026434 0.388732
C -0.538082 0.611994 -0.545878
C -1.455170 -1.689994 -0.542214
C 0.665515 0.115352 0.272843
C -0.234474 -2.152786 0.281862
C -4.131224 -0.663264 0.185913
C -5.710171 0.853464 1.570682
C -2.945099 0.316747 -0.010810
C -6.975860 1.639073 1.117325
C -7.603311 0.760739 0.003989
C 2.191568 -1.810145 0.603144
C -6.430018 -0.070879 -0.534040
C 3.422110 -1.158323 0.014496
C 4.412566 -0.583739 0.754358
C 5.658754 0.035709 0.257343
C 6.004858 0.094363 -1.123896
C 6.562730 0.606496 1.197553
C 7.204253 0.703490 -1.542456
C 7.765257 1.215815 0.780023
C 8.092313 1.268157 -0.594083
H -0.818889 1.640498 -0.267938
H -0.281300 0.589266 -1.623791
H -1.239022 -1.851816 -1.617849
H -2.334259 -2.294258 -0.272409
H 1.557946 0.711884 0.013424
H 0.458012 0.266669 1.363265
H -0.497602 -2.116444 1.371461
H -0.003492 -3.203016 0.022483
H -3.912778 -1.340726 1.038025
H -4.270943 -1.286597 -0.719767
H -5.917858 0.206727 2.449767
H -4.865971 1.522189 1.802827
H -6.666401 2.611234 0.697047
H -7.664385 1.829438 1.957002
H -8.061179 1.338468 -0.814698
H -8.374735 0.068711 0.392788
H 2.187136 -1.675473 1.715292
H 2.231734 -2.903053 0.412239
H 3.475963 -1.189187 -1.082621
H 4.288081 -0.569780 1.848772
H 5.334299 -0.339771 -1.873805
H 6.314223 0.570164 2.265909
H 7.452107 0.738985 -2.609464
H 8.444589 1.648370 1.523059
H 9.024482 1.740032 -0.923692


