%chk=000063806.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063806

0 1
 O   0.2961000       2.045100       1.408400    
 N    1.221700      0.1061000      0.4800000    
 N   -1.613700     -0.9800000     -0.3294000    
 N   -1.904400      0.4066000       1.383100    
 N    3.042400      0.2845000      -1.050600    
 C   0.2993000     -0.7509000       1.228200    
 C   0.5076000     -0.6311000       2.759500    
 C   -1.110600     -0.4097000      0.7800000    
 C  -0.4281000      -1.565300       3.537300    
 C    1.958200     -0.9504000       3.147600    
 C    2.169500     -0.4269000     -0.4069000    
 C    1.123800       1.490500      0.6905000    
 C   -2.883500     -0.4823000     -0.4729000    
 C   -3.041100      0.3806000      0.6081000    
 C    2.116600       2.311900     -3.4000002E-02
 C    3.037800       1.673200     -0.8676000    
 C    2.186500      -1.884000     -0.6340000    
 C   -3.877300     -0.7061000      -1.426400    
 C   -4.255800       1.069800      0.7627000    
 C   -5.079800     -1.2000000E-02  -1.256900    
 C   -5.267800      0.8606000     -0.1826000    
 C    2.134400       3.702900      0.1191000    
 C    3.982800       2.448200      -1.549900    
 C    2.975400      -2.697800      0.1719000    
 C    1.413000      -2.431900      -1.651700    
 C   -6.169000     -0.2268000      -2.259500    
 C   -6.559300       1.595800     -1.6300000E-02
 C    3.081400       4.461900     -0.5669000    
 C    4.005200       3.835600      -1.400500    
 C    2.991300      -4.076000     -4.2700000E-02
 C    1.428900      -3.810100      -1.866100    
 C    2.218200      -4.632200      -1.061600    
 H   0.4509000      -1.806000      0.9842000    
 H   0.2933000      0.3851000       3.108200    
 H  -0.2873000      -2.608400       3.233700    
 H  -0.2317000      -1.500800       4.613300    
 H   -1.480400      -1.307900       3.387100    
 H    2.212400      -1.987600       2.910300    
 H    2.100000     -0.8189000       4.226300    
 H    2.672800     -0.2892000       2.648900    
 H   -1.165000      -1.649600     -0.9397000    
 H   -3.714000      -1.387400      -2.254400    
 H   -4.393800       1.746500       1.600400    
 H    1.423700       4.210000      0.7656000    
 H    4.709000       1.973500      -2.205600    
 H    3.594100      -2.273900      0.9574000    
 H   0.8009000      -1.799100      -2.288500    
 H   -5.868800     -0.9362000      -3.038800    
 H   -7.062000     -0.6375000      -1.777300    
 H   -6.423300      0.7127000      -2.760700    
 H   -6.748700       2.243400     -0.8785000    
 H   -7.390700      0.8936000      0.1034000    
 H   -6.549500       2.237200      0.8720000    
 H    3.099400       5.541700     -0.4509000    
 H    4.742900       4.427000      -1.935100    
 H    3.608500      -4.715600      0.5814000    
 H   0.8280000      -4.242900      -2.660500    
 H    2.231400      -5.705000      -1.229400    


%chk=000063806-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063806

0 1
O 0.482280 2.027057 1.474050
N 1.286465 0.024394 0.541898
N -1.413839 -0.055725 -0.430236
N -2.227597 -0.345380 1.678943
N 2.937370 0.029260 -1.224502
C 0.272472 -0.717066 1.377849
C 0.431375 -0.559082 2.932100
C -1.126081 -0.345529 0.913335
C -0.160502 -1.811905 3.624546
C 1.886143 -0.314759 3.391162
C 2.148382 -0.628029 -0.379305
C 1.264500 1.462103 0.655421
C -2.795802 0.169570 -0.527794
C -3.290283 -0.024448 0.802358
C 2.173456 2.174825 -0.256942
C 2.967079 1.430748 -1.184849
C 2.190698 -2.124223 -0.479610
C -3.644685 0.513176 -1.597155
C -4.670297 0.122711 1.060252
C -5.025379 0.661457 -1.331045
C -5.540501 0.464259 0.002009
C 2.240613 3.592543 -0.231868
C 3.822545 2.126949 -2.084509
C 2.423989 -2.974067 0.633733
C 2.088349 -2.700475 -1.773197
C -5.969381 1.034313 -2.461203
C -7.027110 0.627303 0.272434
C 3.090840 4.267135 -1.122837
C 3.881748 3.529399 -2.050887
C 2.531983 -4.370273 0.457244
C 2.180283 -4.097485 -1.946068
C 2.399115 -4.938694 -0.830282
H 0.426291 -1.782637 1.131333
H -0.170385 0.318237 3.222106
H 0.405118 -2.727296 3.357688
H -0.111677 -1.695877 4.722842
H -1.217505 -1.945701 3.341839
H 2.561486 -1.156480 3.145006
H 1.899039 -0.202036 4.490747
H 2.310663 0.608736 2.962445
H -0.729662 0.035861 -1.178701
H -3.263311 0.665929 -2.612923
H -5.053905 -0.023696 2.075145
H 1.615255 4.129018 0.489002
H 4.425007 1.538581 -2.783009
H 2.559288 -2.547112 1.631766
H 1.956320 -2.039810 -2.635895
H -5.428005 1.145139 -3.416382
H -6.756317 0.269032 -2.606923
H -6.491205 1.989538 -2.257873
H -7.379788 1.647998 0.026708
H -7.634422 -0.073106 -0.333394
H -7.258949 0.439794 1.334421
H 3.147470 5.360535 -1.106838
H 4.543623 4.062323 -2.742394
H 2.724764 -5.011258 1.324183
H 2.089281 -4.527983 -2.949147
H 2.475097 -6.023288 -0.964095


