%chk=000125546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125546

0 1
 O   -1.319000      -1.364200      1.6500000E-02
 O   -5.087700      0.2585000     -0.6809000    
 O   -4.834900      -2.472400      3.6499999E-02
 O  -0.9426000      -4.001600      0.5858000    
 O   0.7736000     -0.2533000     -4.5400001E-02
 O   -3.991100       3.201900     -0.8001000    
 O    2.021900       1.646900     -0.3535000    
 N   -2.727900       1.804300      0.5679000    
 N  -0.2946000      0.6354000     -0.2236000    
 N    2.998800     -0.4433000      3.3599999E-02
 C   -3.960200     -0.2316000      4.8500001E-02
 C   -3.725100      -1.675100     -0.3666000    
 C   -2.748600      0.6318000     -0.2731000    
 C   -2.467100      -2.179700      0.3244000    
 C   -1.399000     -3.1500001E-02 -0.1287000    
 C   -2.125200      -3.609000     -8.6999997E-02
 C   -3.354200       2.992700      0.2290000    
 C   -3.198100       4.045000       1.294000    
 C    1.952000      0.4415000     -0.1436000    
 C    4.385100     -0.1681000      1.4300000E-02
 C    5.285900      -1.202000      0.2145000    
 C    4.816500       1.130300     -0.2055000    
 C    6.653900     -0.9303000      0.1945000    
 C    6.184500       1.402100     -0.2257000    
 C    7.103200      0.3716000     -2.5599999E-02
 H   -4.227000     -0.1808000       1.111300    
 H   -3.633000      -1.752000      -1.457100    
 H   -2.808700      0.9722000      -1.315700    
 H   -2.585100      -2.161400       1.415800    
 H   -1.930700      -3.667000      -1.163100    
 H   -2.926700      -4.306400      0.1740000    
 H   -2.255900       1.740000       1.465900    
 H   -4.890800      0.1855000      -1.630300    
 H   -5.628200      -2.100100     -0.3851000    
 H  -0.7410000      -4.910500      0.3053000    
 H   -2.153500       4.112200       1.611500    
 H   -3.824500       3.789400       2.152800    
 H   -3.506500       5.016900      0.8991000    
 H    2.742600      -1.413700      0.1989000    
 H    4.946700      -2.219700      0.3866000    
 H    4.167900       1.978700     -0.3682000    
 H    7.369300      -1.732600      0.3501000    
 H    6.535900       2.415500     -0.3972000    
 H    8.168400      0.5831000     -4.1299999E-02


%chk=000125546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125546

0 1
O -1.416576 -1.669167 -0.479445
O -5.238664 0.129709 -0.063127
O -4.949852 -2.539419 0.401415
O -1.334489 -4.529424 0.347924
O 0.856022 -0.318560 -0.253787
O -4.700939 2.638381 0.228884
O 1.967250 1.777675 0.108152
N -2.509918 1.833675 0.121245
N -0.370054 0.454726 -0.277567
N 3.091423 -0.305415 -0.111180
C -3.907416 -0.325329 0.284447
C -3.871038 -1.781296 -0.220074
C -2.773812 0.478964 -0.417462
C -2.545720 -2.459823 0.141997
C -1.442152 -0.297610 -0.355207
C -2.436145 -3.882548 -0.375615
C -3.435047 2.818006 0.341084
C -2.884311 4.176160 0.742508
C 2.007799 0.546710 -0.063484
C 4.467004 0.033137 0.033480
C 5.407647 -1.028933 -0.032535
C 4.914160 1.365228 0.234083
C 6.785059 -0.762331 0.100862
C 6.297551 1.613455 0.366111
C 7.240033 0.561911 0.301435
H -3.740909 -0.303899 1.385095
H -3.998457 -1.759438 -1.326070
H -3.075151 0.560201 -1.485931
H -2.389791 -2.454624 1.237044
H -2.250164 -3.863555 -1.469845
H -3.405764 -4.380266 -0.172588
H -1.502578 2.043033 0.196344
H -5.257439 1.150817 0.040258
H -5.741672 -1.934018 0.382052
H -1.289885 -5.483366 0.089054
H -1.790241 4.180173 0.876260
H -3.367552 4.498695 1.679847
H -3.152134 4.914686 -0.033153
H 2.862096 -1.291465 -0.260934
H 5.061355 -2.058876 -0.186715
H 4.189589 2.180679 0.284158
H 7.501261 -1.589576 0.048401
H 6.638742 2.643123 0.520878
H 8.310180 0.768996 0.405202


