%chk=000124757.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124757

0 1
 O    1.905500      0.2324000       1.031900    
 O    1.567400     -0.4495000      -1.902800    
 O    4.420200      -1.372700      9.0599999E-02
 O    2.537600       2.932100      0.7676000    
 O   -4.463400     -0.3409000     -3.1599998E-02
 N   6.1600000E-02  -1.129300      0.3899000    
 N   -1.974100      -2.051700      0.4307000    
 N  -0.5455000       1.179800     -6.3900001E-02
 N   -2.963600       1.444700     -0.2599000    
 C    2.249800      -1.151000     -0.8715000    
 C    1.514700      -1.027800      0.4598000    
 C    3.554700     -0.4458000     -0.5616000    
 C    3.148000      0.6476000      0.4284000    
 C    2.917800       2.000700     -0.2301000    
 C  -0.8265000     -0.1140000      0.1523000    
 C  -0.6817000      -2.273300      0.5496000    
 C   -2.078900     -0.7062000      0.1823000    
 C   -3.173300      0.1253000     -3.4499999E-02
 C   -1.681700       1.883500     -0.2607000    
 C   -5.488600      0.6160000     -0.2665000    
 H    2.360900      -2.197400      -1.173100    
 H    1.854600      -1.802700       1.158700    
 H    4.070800     -5.6100000E-02  -1.444400    
 H    3.872400      0.7537000       1.244100    
 H    2.112400       1.960500     -0.9688000    
 H    3.831800       2.358500     -0.7142000    
 H    2.111200     -0.5116000      -2.706500    
 H    5.235200     -0.8952000      0.3220000    
 H  -0.2243000      -3.233000      0.7483000    
 H    2.400100       3.786800      0.3247000    
 H   -1.550900       2.944500     -0.4443000    
 H   -5.492000       1.385700      0.5125000    
 H   -6.450600      9.6000001E-02 -0.2327000    
 H   -5.382600       1.067900      -1.258400    


%chk=000124757-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124757

0 1
O 2.162407 0.131665 1.188299
O 1.537771 -0.712491 -1.875438
O 4.610026 -1.332429 0.052920
O 1.855178 2.816002 0.387999
O -4.343085 -0.181307 -0.135608
N 0.192922 -1.047786 0.468303
N -1.909514 -1.976350 0.300659
N -0.448305 1.365475 0.212200
N -2.851162 1.655689 -0.106179
C 2.395996 -1.231365 -0.818595
C 1.664598 -1.079225 0.558255
C 3.682241 -0.390582 -0.596513
C 3.218769 0.752477 0.324969
C 2.655492 1.965865 -0.463066
C -0.685319 0.022231 0.268520
C -0.601830 -2.208793 0.479657
C -1.984957 -0.579744 0.168230
C -3.072984 0.315006 -0.027992
C -1.569331 2.112592 0.019320
C -5.435970 0.802660 -0.332570
H 2.682524 -2.284977 -0.994974
H 1.919490 -1.943956 1.199636
H 4.106132 -0.018384 -1.550665
H 3.995867 1.090003 1.035699
H 2.072209 1.599207 -1.333521
H 3.505228 2.570897 -0.833713
H 1.812123 -1.089827 -2.746975
H 5.295780 -0.830878 0.560323
H -0.165177 -3.195333 0.625992
H 0.978812 2.306564 0.506002
H -1.428387 3.195341 -0.037838
H -5.476860 1.505643 0.515566
H -6.342764 0.184235 -0.385993
H -5.278919 1.369374 -1.265009


