%chk=000126718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126718

0 1
 O    3.627800     -0.4209000      2.0800000E-02
 O    2.033600       2.721100     -2.5300000E-02
 N  -9.5600002E-02   1.071300      3.7000000E-02
 N    1.172100      0.5949000      4.7300000E-02
 N   -3.469900     -0.1548000     -3.0700000E-02
 N  -0.8550000      -1.798200       1.198800    
 C   -1.127900      0.2403000      1.0300000E-02
 C   -2.481600      0.7671000     -6.0000003E-04
 C  -0.9140000      -1.249800     -1.1200000E-02
 C   -2.697800       2.135700      1.8900000E-02
 C  -0.8050000      -1.868300      -1.217300    
 C    3.568900      0.9151000     -3.0000001E-04
 C   -4.012900       2.587000      6.6000000E-03
 C  -0.6076000      -3.244200      -1.180700    
 C    2.221900       1.503600      1.3500000E-02
 C    4.773700       1.511800     -3.1599998E-02
 C   -5.056800       1.669000     -2.4400000E-02
 C  -0.5336000      -3.898000      4.4399999E-02
 C   -4.735100      0.3214000     -4.1999999E-02
 C  -0.6622000      -3.136400       1.194700    
 C    5.701900      0.4435000     -3.0300001E-02
 C    4.955200     -0.7111000      2.0000001E-03
 H   -1.890200       2.859300      4.2900000E-02
 H  -0.8647000      -1.339300      -2.160500    
 H   -4.224300       3.652000      2.1100000E-02
 H  -0.5112000      -3.805900      -2.104900    
 H    1.322100     -0.4075000      6.9100000E-02
 H    4.990800       2.570000     -5.3100001E-02
 H   -6.089600       1.998000     -3.4499999E-02
 H  -0.3800000      -4.969700      9.7000003E-02
 H   -5.512600     -0.4350000     -6.6299997E-02
 H  -0.6116000      -3.598500       2.175200    
 H    6.780300      0.5070000     -5.0600000E-02
 H    5.203900      -1.762300      1.4900000E-02


%chk=000126718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126718

0 1
O 3.708966 -0.390594 0.208971
O 1.942034 2.817734 0.252487
N -0.147795 0.982064 -0.012556
N 1.151138 0.585984 0.066081
N -3.616028 -0.020511 -0.357562
N 0.392574 -1.825355 -0.119435
C -1.134692 0.078645 -0.135840
C -2.483912 0.742610 -0.204076
C -0.926304 -1.400059 -0.196097
C -2.566136 2.165773 -0.109430
C -1.972271 -2.361208 -0.320917
C 3.515487 1.015327 0.273029
C -3.822650 2.792118 -0.175046
C -1.652527 -3.732628 -0.363056
C 2.149584 1.572391 0.198395
C 4.748757 1.641817 0.404770
C -4.987473 2.001506 -0.334030
C -0.302730 -4.147137 -0.283037
C -4.826778 0.603894 -0.419548
C 0.686897 -3.149432 -0.162130
C 5.755234 0.608307 0.424992
C 5.091861 -0.604105 0.304752
H -1.641480 2.733876 0.010982
H -2.995930 -1.983877 -0.382546
H -3.895006 3.882583 -0.103461
H -2.453863 -4.473314 -0.458380
H 1.309449 -0.474842 0.020662
H 4.893018 2.717217 0.476716
H -5.983792 2.450622 -0.389822
H -0.021649 -5.204021 -0.312996
H -5.694760 -0.054312 -0.542990
H 1.749663 -3.406021 -0.096422
H 6.830727 0.744673 0.516567
H 5.413386 -1.641525 0.271176


