%chk=000121623.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121623

0 1
 O    4.641000      -1.660700     -0.1864000    
 O    2.964300       2.825300     -0.1536000    
 O    4.988800       1.030200     -0.7442000    
 N   -3.168900     -0.8052000     -0.2349000    
 N  -0.3019000      -2.965900      -1.206700    
 C    1.449200     -0.3057000      0.9690000    
 C   0.1783000     -0.7853000       1.584600    
 C    1.620400       1.050000      0.6893000    
 C    2.466400      -1.213000      0.6725000    
 C    3.654800     -0.7644000      9.6199997E-02
 C    2.808800       1.498500      0.1129000    
 C    3.826000      0.5913000     -0.1836000    
 C  -0.8863000      -1.175400      0.5717000    
 C   -2.099100     -0.5954000      0.5778000    
 C   -4.426900     -0.1852000     -0.2010000    
 C  -0.5667000      -2.163400     -0.4114000    
 C   -5.411000     -0.5366000      -1.130800    
 C   -4.707500      0.7885000      0.7629000    
 C    5.602600      -1.910300      0.8370000    
 C    1.876500       3.685300      0.1802000    
 C    5.047900       1.064600      -2.168300    
 C   -6.662200      7.9200000E-02  -1.096900    
 C   -5.958600       1.404200      0.7969000    
 C   -6.935900       1.049500     -0.1331000    
 H  -0.1988000     -2.0800000E-02   2.277400    
 H   0.3851000      -1.655700       2.223100    
 H   0.7947000       1.707600      0.9398000    
 H    2.341500      -2.271100      0.8899000    
 H   -2.263200      0.1507000       1.345300    
 H   -3.046100      -1.500700     -0.9632000    
 H   -5.212200      -1.291300      -1.887700    
 H   -3.992900       1.108800       1.512600    
 H    5.117600      -2.328100       1.725000    
 H    6.136000     -0.9907000       1.097500    
 H    6.325100      -2.638200      0.4579000    
 H    2.172400       4.701700     -0.1000000    
 H   0.9790000       3.445200     -0.4001000    
 H    1.686600       3.696400       1.258900    
 H    4.286500       1.740800      -2.569500    
 H    4.914800      6.0699999E-02  -2.583700    
 H    6.033800       1.435800      -2.461100    
 H   -7.423400     -0.1969000      -1.820900    
 H   -6.173000       2.159900       1.547000    
 H   -7.910100       1.529000     -0.1066000    


%chk=000121623-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121623

0 1
O 5.052880 -1.649047 0.874567
O 2.725096 2.291735 -0.812703
O 5.119142 0.978214 -0.297523
N -3.297988 -0.541343 -0.332998
N -0.886042 -2.321871 -2.333607
C 1.426694 -0.906969 0.694710
C 0.114714 -1.587894 1.095710
C 1.419648 0.381069 0.105100
C 2.656731 -1.538546 0.964085
C 3.881498 -0.907988 0.638053
C 2.636668 1.017907 -0.223983
C 3.886631 0.371399 0.019244
C -1.040279 -1.387386 0.121993
C -2.204296 -0.733880 0.489641
C -4.504276 0.133620 -0.018626
C -0.932360 -1.901096 -1.209626
C -5.525716 0.167563 -1.007462
C -4.727571 0.773868 1.230665
C 6.130378 -0.989171 1.644956
C 1.470824 3.001220 -1.075452
C 5.356844 1.224786 -1.738012
C -6.744408 0.826004 -0.751104
C -5.953693 1.427706 1.474850
C -6.970131 1.461384 0.492648
H -0.208450 -1.206003 2.085959
H 0.309453 -2.669201 1.231471
H 0.461104 0.866486 -0.101292
H 2.699523 -2.534695 1.416700
H -2.289093 -0.339873 1.505503
H -3.236500 -0.939485 -1.276329
H -5.362126 -0.325091 -1.974334
H -3.962332 0.774102 2.012880
H 5.780102 -0.766964 2.671902
H 6.458163 -0.062412 1.147300
H 6.946378 -1.727147 1.680494
H 1.772689 3.961492 -1.518937
H 0.832498 2.443398 -1.787719
H 0.910364 3.182871 -0.138027
H 4.618779 1.943158 -2.132662
H 5.310181 0.273958 -2.301684
H 6.371623 1.647932 -1.793977
H -7.519555 0.840875 -1.524983
H -6.112833 1.916478 2.442549
H -7.917554 1.972036 0.691760


