%chk=000101506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101506

0 1
 O    3.601800      0.1776000      0.2219000    
 O   -5.928300       1.541000     -0.1864000    
 O   -2.377800       3.979100      0.4282000    
 O    7.035300      0.5569000      0.7514000    
 O    5.365100      0.2384000       2.146800    
 N   -3.609500       1.978700      8.9800000E-02
 N   -3.505100     -0.4006000      7.3200002E-02
 N    5.799600      0.3872000      0.9672000    
 C   -1.365600      -1.509400      8.6700000E-02
 C  -0.7264000     -0.2624000      0.1044000    
 C   -2.849600      0.7825000      9.0499997E-02
 C   -2.775900      -1.532600      7.1199998E-02
 C   -1.475000      0.9057000      0.1065000    
 C  -0.6360000      -2.710400      8.4200002E-02
 C   0.7266000     -0.1116000      0.1212000    
 C   -3.410400      -2.771600      5.3700000E-02
 C   -4.923800       2.022600      0.6981000    
 C   -3.088900       3.188400     -0.5170000    
 C   -1.296400      -3.935600      6.6500001E-02
 C   -2.685300      -3.965800      5.1199999E-02
 C    1.499500      1.7100001E-02 -0.9798000    
 C    2.922300      0.1892000     -0.9430000    
 C    3.747700      0.3776000      -2.012000    
 C    4.907000      0.3647000     -0.1061000    
 C    5.049200      0.4931000      -1.468300    
 H  -0.9704000       1.865200      0.1380000    
 H   0.4509000      -2.723600      9.8700002E-02
 H    1.169400     -0.1000000       1.114600    
 H   -4.497700      -2.822300      4.1600000E-02
 H   -4.956200       1.422200       1.614200    
 H   -5.192000       3.046100      0.9836000    
 H   -3.913800       3.798900     -0.9028000    
 H   -2.437200       2.974400      -1.372600    
 H  -0.7297000      -4.861700      6.5300003E-02
 H   -3.208800      -4.917300      3.7400000E-02
 H    1.026000      6.3999998E-03  -1.959400    
 H    3.468900      0.4283000      -3.055300    
 H    5.972200      0.6506000      -2.008300    
 H   -5.802900       2.005500      -1.031100    
 H   -2.068200       4.773100     -3.9700001E-02


%chk=000101506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101506

0 1
O 3.678163 -0.313928 -0.275843
O -6.038690 1.473042 -1.016176
O -2.411350 3.817718 0.158103
O 7.242670 -0.702931 -0.320204
O 5.574579 -2.181546 0.264319
N -3.707254 1.863890 -0.307210
N -3.520712 -0.413264 0.266138
N 5.994031 -1.028526 -0.148188
C -1.318520 -1.580988 0.273466
C -0.665300 -0.320694 -0.052294
C -2.894830 0.728764 -0.088672
C -2.759085 -1.551822 0.451703
C -1.468287 0.821958 -0.214828
C -0.638282 -2.828066 0.446666
C 0.795385 -0.250377 -0.159380
C -3.450945 -2.751499 0.816644
C -5.123941 1.844166 0.070205
C -3.159685 3.063153 -0.881602
C -1.338380 -3.987839 0.795468
C -2.754369 -3.949296 0.985945
C 1.532024 0.837286 -0.570522
C 2.967900 0.854621 -0.643636
C 3.890263 1.845213 -1.030137
C 5.033601 -0.010944 -0.447532
C 5.202754 1.294035 -0.904769
H -1.011920 1.805108 -0.349488
H 0.444566 -2.894228 0.303000
H 1.362134 -1.145949 0.116560
H -4.535950 -2.687090 0.940946
H -5.273039 1.059018 0.820922
H -5.382004 2.842225 0.477138
H -3.995183 3.679353 -1.271425
H -2.477328 2.812392 -1.719872
H -0.797978 -4.931868 0.922749
H -3.290853 -4.864276 1.259667
H 1.048690 1.771812 -0.877292
H 3.635051 2.849420 -1.362469
H 6.157087 1.769062 -1.115205
H -6.058883 2.191018 -1.699392
H -2.175530 4.717477 -0.189203


