%chk=000149519.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149519

0 1
 O   -4.842400      -2.511700      0.1815000    
 N   -2.147800       2.231000     -0.3496000    
 N    2.966700      -1.417200      0.6626000    
 N    4.013100      0.6354000      0.4245000    
 N    2.936700      -1.939600       1.953800    
 C  -0.8404000      0.4696000      4.1900001E-02
 C  -0.8392000       1.845200     -0.1771000    
 C   0.3938000     -0.1811000      0.2495000    
 C    1.588500      0.5647000      0.2316000    
 C   0.3337000       2.610000     -0.1996000    
 C   -2.201600      2.9899999E-02 -2.6000000E-03
 C    1.560000       1.955400      8.1000002E-03
 C   -2.993200       1.151700     -0.2488000    
 C    2.836000     -2.9600000E-02  0.4309000    
 C   0.3697000      -1.662000      0.4826000    
 C   -2.833800      -1.222600      0.1445000    
 C   0.2644000       4.086200     -0.4398000    
 C    2.767800       2.662100     -2.4000001E-03
 C   -4.387000       1.086200     -0.3562000    
 C    3.139200      -2.348700     -0.4391000    
 C   -4.227000      -1.304200      3.9999999E-02
 C    3.947700       1.965200      0.2076000    
 C   -4.990100     -0.1655000     -0.2068000    
 C    4.621000      -2.511800     -0.7680000    
 C    4.827800      -3.466800      -1.933600    
 C   -6.263500      -2.532000      6.4800002E-02
 H   -2.458200       3.175800     -0.5266000    
 H   0.7308000      -2.224300     -0.3748000    
 H   0.7744000      -1.941200       1.448400    
 H  -0.6169000      -2.056700      0.6256000    
 H   -2.340000      -2.168300      0.3095000    
 H   0.6759000       4.632100      0.4160000    
 H   0.8240000       4.352700      -1.342900    
 H  -0.7567000       4.449700     -0.5834000    
 H    2.824100       3.732800     -0.1680000    
 H   -4.981100       1.973600     -0.5482000    
 H    2.715500      -3.330000     -0.1884000    
 H    2.622100      -1.989800      -1.338200    
 H    4.903000       2.479800      0.2060000    
 H   -6.071600     -0.1746000     -0.2967000    
 H    5.065100      -1.542500      -1.022200    
 H    5.163100      -2.888100      0.1077000    
 H    3.884700      -2.210900       2.212500    
 H    2.667600      -1.209600       2.613000    
 H    4.429300      -4.459800      -1.702700    
 H    4.331000      -3.097700      -2.836600    
 H    5.895000      -3.571800      -2.152400    
 H   -6.583800      -3.569800      0.2040000    
 H   -6.590700      -2.230000     -0.9360000    
 H   -6.741700      -1.943100      0.8549000    


%chk=000149519-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149519

0 1
O -4.783536 -2.592922 0.213989
N -1.907965 2.074619 -0.878904
N 3.221867 -1.477387 1.067068
N 4.029311 0.698956 1.363884
N 4.488381 -1.881126 1.647189
C -0.717426 0.370378 0.130586
C -0.641686 1.720841 -0.390220
C 0.420556 -0.256676 0.681921
C 1.667530 0.469951 0.645539
C 0.511714 2.510309 -0.302309
C -2.104921 -0.074007 -0.050627
C 1.675783 1.883144 0.253820
C -2.808093 1.009400 -0.688655
C 2.968981 -0.079434 1.035282
C 0.236875 -1.588190 1.392409
C -2.807691 -1.265873 0.233416
C 0.525023 3.965907 -0.731329
C 2.860278 2.655469 0.527012
C -4.166352 0.918313 -1.032398
C 2.884458 -2.303734 -0.131530
C -4.177025 -1.360942 -0.112593
C 3.947378 2.054304 1.152302
C -4.857202 -0.281067 -0.738575
C 3.934429 -2.201304 -1.260890
C 3.580226 -3.127297 -2.444311
C -6.196470 -2.757650 -0.121174
H -2.147287 2.971664 -1.291911
H -0.029363 -2.403264 0.691836
H 1.145161 -1.891471 1.931304
H -0.594844 -1.503058 2.116145
H -2.338411 -2.127917 0.710434
H 0.656804 4.644591 0.133524
H 1.349492 4.174122 -1.438087
H -0.411762 4.261594 -1.234653
H 2.892798 3.722129 0.292602
H -4.690349 1.748457 -1.518169
H 2.794875 -3.353713 0.202736
H 1.900821 -1.981956 -0.510250
H 4.822370 2.635874 1.462405
H -5.915781 -0.362201 -1.001016
H 3.994390 -1.150809 -1.608142
H 4.921726 -2.468258 -0.843246
H 5.098672 -1.041041 1.654351
H 4.313058 -2.202248 2.611482
H 3.536838 -4.185612 -2.123454
H 2.597831 -2.866627 -2.882332
H 4.336406 -3.051646 -3.246631
H -6.454683 -3.774202 0.211011
H -6.368267 -2.669088 -1.212483
H -6.829916 -2.021200 0.412443


