%chk=000115303.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115303

0 1
 O   0.2739000       1.313800      -1.857700    
 O   -1.438700       4.001100      0.9625000    
 O   -3.464400       3.735800     -5.4000001E-03
 O    4.007200     -8.5900001E-02   1.903500    
 O  -0.4243000      -3.284500       1.491000    
 O   -1.581400      -4.490200     -0.7304000    
 O    4.549000      -1.612900      0.3173000    
 N  -0.5533000       1.632700      0.2892000    
 N    5.283800      0.4479000      -1.359200    
 C   -1.930200       1.867100     -7.9499997E-02
 C   -2.862300      0.8460000      0.5855000    
 C    2.900800      0.8691000     -0.9862000    
 C    1.788800       1.156900      2.4599999E-02
 C    4.278000      0.7213000     -0.3299000    
 C   -2.517200     -0.5817000      0.2363000    
 C   0.4411000       1.373400     -0.6427000    
 C   -2.363100       3.279800      0.2841000    
 C   -1.622200      -1.278300       1.032400    
 C   -3.102100      -1.169200     -0.8742000    
 C    4.308000     -0.4538000      0.6307000    
 C   -1.303700      -2.597500      0.7099000    
 C   -2.783400      -2.488300      -1.196900    
 C   -1.884200      -3.202500     -0.4049000    
 H   -2.015000       1.793000      -1.170500    
 H   -3.905000       1.046700      0.3047000    
 H   -2.835500      0.9669000       1.677700    
 H    2.934400       1.680300      -1.725700    
 H    2.643800     -4.5299999E-02  -1.538600    
 H    2.032800       2.054600      0.6048000    
 H    1.675200      0.3188000      0.7213000    
 H  -0.3058000       1.700300       1.272500    
 H    4.566800       1.632300      0.2052000    
 H   -1.173100     -0.8060000       1.902200    
 H   -3.801400     -0.6200000      -1.498000    
 H    5.311000       1.223500      -2.020600    
 H    5.010200     -0.3702000      -1.903100    
 H   -3.242500      -2.947100      -2.068500    
 H   -1.762200       4.901800       1.178000    
 H    4.014700     -0.8516000       2.516700    
 H  -0.1231000      -2.706800       2.213100    
 H   -2.076300      -4.739500      -1.529800    


%chk=000115303-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115303

0 1
O 0.118444 1.591151 -1.784091
O -1.577228 3.781716 1.751081
O -3.495818 3.760119 0.439939
O 4.738065 1.447641 1.318113
O -2.583896 -4.174559 1.600269
O -1.727225 -4.654805 -0.923989
O 5.198466 -0.779436 0.856531
N -0.445893 1.729489 0.468512
N 4.993503 -0.215027 -1.871316
C -1.874016 1.911093 0.215562
C -2.768412 0.765416 0.792736
C 2.720509 0.507451 -0.986197
C 1.939668 1.531096 -0.130965
C 4.280738 0.660214 -0.933302
C -2.417116 -0.634973 0.304106
C 0.473469 1.613031 -0.563417
C -2.411659 3.234629 0.763901
C -2.620407 -1.734022 1.178413
C -1.961390 -0.897546 -1.008833
C 4.794089 0.337759 0.466107
C -2.391554 -3.063880 0.764963
C -1.726657 -2.225964 -1.428990
C -1.940636 -3.317162 -0.560028
H -1.989732 1.947035 -0.883344
H -3.813737 1.014010 0.520728
H -2.716524 0.795670 1.899312
H 2.415519 0.650986 -2.040103
H 2.446516 -0.527547 -0.704724
H 2.385787 2.536223 -0.275828
H 2.024441 1.303950 0.947172
H -0.113050 1.803589 1.431007
H 4.522054 1.720206 -1.141664
H -2.970151 -1.550821 2.204761
H -1.759005 -0.080770 -1.708413
H 4.628645 -0.203897 -2.826037
H 5.182339 -1.152374 -1.503742
H -1.368206 -2.413759 -2.449697
H -1.983406 4.622680 2.095736
H 5.067276 1.182754 2.220545
H -2.904938 -3.882960 2.489996
H -1.419773 -4.706606 -1.863412


