%chk=000129039.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129039

0 1
 O   -1.114400     -0.8394000       1.802600    
 O    1.088600     -0.9935000      -1.489700    
 O   -5.388500     -0.4815000      0.5823000    
 O   -4.176800      -4.033700     -0.3359000    
 O   -4.311500      -2.230800      -1.708000    
 O    3.070300      -2.601000     -0.8965000    
 O    5.716300      -2.630200     -9.5399998E-02
 N   0.6482000      0.5284000      0.2009000    
 N   -2.629800     -0.8930000      4.4700000E-02
 N   -1.193400       6.972300     -0.3161000    
 C   -1.325700       2.038700      0.3365000    
 C  -0.7811000      0.6622000     -7.3500000E-02
 C  -0.6806000       3.199800     -0.4272000    
 C   -1.286100       4.542400     -8.7000001E-03
 C   -1.506800     -0.4255000      0.7134000    
 C  -0.6171000       5.702900     -0.7435000    
 C   -3.481900      -1.939300      0.5623000    
 C    1.456800     -0.2995000     -0.5456000    
 C   -4.627900      -1.373300       1.388000    
 C    2.880400     -0.3447000     -0.1235000    
 C   -4.014200      -2.715800     -0.6239000    
 C    3.619900      -1.493500     -0.3203000    
 C    3.420700      0.7847000      0.4592000    
 C    4.955300      -1.514500      8.2500003E-02
 C    4.755900      0.7637000      0.8619000    
 C    5.523300     -0.3859000      0.6735000    
 H   -1.172300       2.188400       1.413600    
 H   -2.411200       2.059500      0.1748000    
 H  -0.9390000      0.5046000      -1.147400    
 H  -0.8212000       3.052700      -1.504800    
 H   0.3995000       3.214900     -0.2398000    
 H   -1.168300       4.671700       1.074700    
 H   -2.363200       4.538500     -0.2183000    
 H   0.9955000      0.9720000       1.045000    
 H  -0.7476000       5.595700      -1.825600    
 H   0.4593000       5.713800     -0.5415000    
 H   -2.889600     -0.4621000     -0.8384000    
 H   -2.868400      -2.607600       1.177400    
 H   -5.290600      -2.170900       1.739300    
 H   -4.249800     -0.8168000       2.251700    
 H   -1.084300       7.075700      0.6922000    
 H   -2.198000       6.967600     -0.4893000    
 H    2.868400       1.709700      0.5909000    
 H    5.201000       1.645000       1.314700    
 H   -6.108300     -0.1382000       1.138700    
 H    6.563500     -0.3949000      0.9877000    
 H   -4.542300      -4.531900      -1.097900    
 H    3.770500      -3.143600      -1.294000    
 H    5.141400      -3.409300     -0.1663000    


%chk=000129039-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129039

0 1
O -1.304190 -1.152931 1.889816
O 1.572588 0.346679 -1.642637
O -5.414465 -0.301170 1.205222
O -5.585323 -3.541152 0.360118
O -4.701462 -2.355944 -1.434586
O 4.031074 0.138352 -2.028380
O 6.517112 -0.312145 -1.105774
N 0.584174 0.075359 0.433578
N -2.825225 -1.159168 0.136024
N -0.924697 6.604100 -1.238866
C -1.347691 1.665987 0.088033
C -0.783226 0.219938 -0.082931
C -0.562788 2.734033 -0.702523
C -1.179226 4.143433 -0.552373
C -1.652853 -0.766440 0.723619
C -0.394953 5.230290 -1.339666
C -3.778154 -2.024633 0.833479
C 1.691693 0.099799 -0.367134
C -4.587620 -1.281739 1.919445
C 3.030419 -0.154870 0.221652
C -4.711567 -2.627392 -0.215806
C 4.140911 -0.119230 -0.671128
C 3.273378 -0.430522 1.600741
C 5.463081 -0.356220 -0.194407
C 4.581740 -0.662597 2.058716
C 5.684772 -0.627244 1.163568
H -1.347677 1.918780 1.167457
H -2.406833 1.665215 -0.240826
H -0.768469 -0.035216 -1.159451
H -0.525452 2.450434 -1.773054
H 0.488368 2.752422 -0.355003
H -1.208888 4.428664 0.520679
H -2.232339 4.134027 -0.905481
H 0.632705 -0.245173 1.407778
H -0.364078 4.951883 -2.411133
H 0.657069 5.241807 -0.993955
H -3.080982 -0.864021 -0.811307
H -3.226585 -2.839034 1.341203
H -5.208922 -2.018502 2.465314
H -3.875024 -0.798334 2.614688
H -0.871943 7.006299 -0.297706
H -1.854633 6.727112 -1.651690
H 2.447979 -0.463369 2.320503
H 4.758671 -0.873768 3.117930
H -5.932385 0.239470 1.850434
H 6.706742 -0.806682 1.510011
H -6.201612 -3.902780 -0.332208
H 3.007483 0.285843 -2.201963
H 6.134201 -0.105149 -2.002622


