%chk=000113429.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113429

0 1
 O  -0.2882000       1.223800     -0.1289000    
 O   0.1693000      -1.081700     -0.1123000    
 O    4.184500     -0.4127000     -9.3199998E-02
 O   -2.551900       1.883800      -1.629400    
 O   -1.612700      -2.593400      -1.601700    
 N   0.5681000      0.1997000      0.4496000    
 C    1.888400      0.4574000     -0.1399000    
 C    2.866600     -0.5962000      0.4107000    
 C    1.784100      0.3596000      -1.669000    
 C    2.318800       1.877100      0.2540000    
 C   -1.593700       1.035900      0.4001000    
 C   -1.110700      -1.399100      0.4175000    
 C   -2.515100       2.078700     -0.2197000    
 C   -1.563100      -2.723200     -0.1848000    
 C   -1.535900       1.173400       1.914000    
 C   -1.008500      -1.483100       1.933100    
 H    2.565800      -1.621000      0.1648000    
 H    2.926800     -0.5303000       1.503400    
 H    1.030400       1.030300      -2.096700    
 H    2.734600      0.6476000      -2.134800    
 H    1.566500     -0.6565000      -2.017400    
 H    1.674200       2.653300     -0.1739000    
 H    3.335500       2.088900     -9.7099997E-02
 H    2.319300       2.004100       1.343200    
 H   -2.359500      0.3411000      0.1522000    
 H   -1.895100     -0.9926000     -0.1580000    
 H   -2.119700       3.087200     -5.5599999E-02
 H   -3.537900       2.051100      0.1762000    
 H   -2.553600      -3.025000      0.1740000    
 H  -0.8532000      -3.527200      3.8400002E-02
 H   -2.366400      0.6652000       2.411700    
 H  -0.5842000      0.9843000       2.409500    
 H   -1.702400       2.232900       2.162500    
 H   -1.986100      -1.372700       2.410200    
 H  -0.7090000      -2.509700       2.193900    
 H  -0.2374000     -0.9013000       2.434800    
 H    4.178400     -0.6571000      -1.033700    
 H   -2.972900       1.024300      -1.800400    
 H  -0.7241000      -2.337000      -1.902900    


%chk=000113429-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113429

0 1
O -0.546638 1.046942 -0.267063
O 0.147430 -1.241658 -0.192820
O 4.108772 -0.355109 0.663730
O -3.495171 0.171870 -0.115623
O -2.053902 -1.432051 -1.764716
N 0.347425 0.088429 0.499825
C 1.795941 0.447847 0.128115
C 2.676687 -0.611017 0.867824
C 2.058341 0.429878 -1.395635
C 2.082310 1.841070 0.721267
C -1.603858 1.639320 0.634189
C -1.003516 -1.999891 0.394805
C -2.958058 1.520932 -0.095723
C -1.732770 -2.543174 -0.849478
C -1.247813 3.098544 0.953164
C -0.494914 -3.086304 1.344060
H 2.398423 -1.628003 0.535743
H 2.525074 -0.525746 1.956661
H 1.314481 1.058586 -1.912446
H 3.058188 0.850993 -1.605426
H 2.001262 -0.592529 -1.807237
H 1.608631 2.634827 0.121913
H 3.175266 1.994764 0.734438
H 1.714327 1.906732 1.761181
H -1.628026 1.025712 1.553560
H -1.660701 -1.278598 0.911251
H -2.854713 1.946338 -1.118332
H -3.694687 2.134013 0.455312
H -2.695138 -3.003697 -0.573743
H -1.104372 -3.290879 -1.372822
H -2.034785 3.554290 1.582650
H -0.293400 3.164673 1.498995
H -1.159980 3.693765 0.025816
H -1.338112 -3.685331 1.736006
H 0.205578 -3.766763 0.827078
H 0.029294 -2.630230 2.201347
H 4.356441 -0.634557 -0.252947
H -3.055526 -0.373762 -0.844447
H -1.217791 -0.890327 -1.836073


