%chk=000154886.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154886

0 1
 O   -4.554200      -1.641600      0.3989000    
 O    1.275900      -2.258000      -1.788900    
 O    1.675700      -2.243300      0.3696000    
 N    1.046000      0.4966000     -0.6463000    
 N    5.863700      0.2617000      0.2609000    
 N   -3.072600      0.6602000      0.1109000    
 N   0.8917000      -2.154500     -0.6021000    
 C  -0.3517000      0.5196000     -0.3897000    
 C    2.016100      0.4917000      0.3965000    
 C   -1.091800     -0.6582000     -0.2452000    
 C    3.427900      0.3843000     -0.1789000    
 C  -0.9735000       1.767800     -0.2833000    
 C    4.541000      0.3154000      0.8713000    
 C   -2.468900     -0.5395000      7.7999998E-03
 C   -2.355100       1.791600     -2.8800000E-02
 C  -0.4930000      -1.926100     -0.3472000    
 C   -3.211200      -1.708600      0.1520000    
 C  -0.2541000       2.967400     -0.4239000    
 C   -1.257500      -3.079500     -0.1989000    
 C   -2.979800       3.031300      7.8100003E-02
 C   -2.619400      -2.970100      5.1199999E-02
 C  -0.9025000       4.193900     -0.3128000    
 C    6.194200      -1.109000     -0.1339000    
 C    6.877300      0.7835000       1.179400    
 C   -2.268200       4.225500     -6.1299998E-02
 C   -4.956000      -1.601900       1.764500    
 H    1.963200       1.457200      0.9182000    
 H    1.827200     -0.2303000       1.192200    
 H    3.608800       1.246300     -0.8360000    
 H    3.476700     -0.4992000     -0.8261000    
 H    1.307100      0.9824000      -1.500600    
 H    4.373300     -0.5247000       1.557900    
 H    4.448000       1.226200       1.478400    
 H   0.8129000       2.989300     -0.6266000    
 H  -0.8123000      -4.068500     -0.2749000    
 H   -4.049200       3.082400      0.2749000    
 H   -3.219100      -3.869000      0.1665000    
 H  -0.3453000       5.119100     -0.4233000    
 H    5.482400      -1.496700     -0.8694000    
 H    6.215000      -1.794100      0.7216000    
 H    7.177900      -1.138600     -0.6164000    
 H    6.675000       1.832500       1.423400    
 H    7.868600      0.7592000      0.7130000    
 H    6.921000      0.2119000       2.113600    
 H   -2.783900       5.177100      2.7000001E-02
 H   -6.047000      -1.535100       1.799200    
 H   -4.536900     -0.7247000       2.267500    
 H   -4.645800      -2.514900       2.282800    


%chk=000154886-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154886

0 1
O -3.913786 -2.121028 1.247689
O 1.484849 -0.761825 -1.755787
O 2.177021 -2.572284 -0.537585
N 1.091477 1.326259 0.171613
N 5.887744 -0.173258 0.481576
N -3.042044 0.494485 0.276790
N 1.304514 -1.642987 -0.818036
C -0.213927 0.960253 -0.050759
C 2.135338 0.632177 0.956007
C -0.719213 -0.390567 0.076215
C 3.506981 0.615052 0.247838
C -1.177819 1.995554 -0.383726
C 4.513772 -0.253738 1.031419
C -2.143408 -0.525653 0.387511
C -2.584996 1.698781 -0.204463
C 0.054560 -1.601424 -0.055438
C -2.627027 -1.830713 0.841198
C -0.805888 3.300545 -0.844347
C -0.455969 -2.846024 0.340076
C -3.553589 2.721641 -0.485276
C -1.772542 -2.948528 0.834304
C -1.770657 4.271159 -1.124686
C 6.003325 -0.759916 -0.872490
C 6.881123 -0.754075 1.409518
C -3.159610 3.979806 -0.937144
C -4.948120 -1.113534 1.568490
H 2.230940 1.152811 1.933560
H 1.805519 -0.391848 1.185447
H 3.916085 1.642264 0.169387
H 3.365737 0.225210 -0.774430
H 1.320838 2.299727 -0.037371
H 4.135927 -1.310173 1.047846
H 4.558790 0.097486 2.082399
H 0.245101 3.548492 -1.040728
H 0.167872 -3.734248 0.211413
H -4.607455 2.465842 -0.338612
H -2.181329 -3.910021 1.155547
H -1.465412 5.253701 -1.499538
H 5.354177 -0.222904 -1.583283
H 5.722402 -1.842287 -0.903004
H 7.045718 -0.659593 -1.223656
H 6.822590 -0.242597 2.387368
H 7.898249 -0.603303 1.005255
H 6.739753 -1.851458 1.583708
H -3.909737 4.747028 -1.157359
H -5.756798 -1.714111 2.014616
H -5.279293 -0.592533 0.659181
H -4.564182 -0.369645 2.284545


