%chk=000042963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042963

0 1
 O  -0.1849000      7.7500001E-02   1.418800    
 O    3.841900       2.911400     -0.5393000    
 O    3.754500      -2.685600      -1.367200    
 O    3.554900       2.122300       1.571900    
 O    3.762900      -2.371800      0.8831000    
 N    2.221700     -1.4200000E-02  7.2300002E-02
 N   -1.281400     -0.4745000     -0.5825000    
 C    1.085800     -0.7751000     -0.4466000    
 C   -2.634600     -0.1741000     -0.2969000    
 C    2.022100       1.417500     -0.1497000    
 C    3.465100     -0.4604000     -0.5550000    
 C  -0.1832000     -0.3367000      0.2640000    
 C   -3.451900      -1.157600      0.2397000    
 C   -3.119700       1.098400     -0.5587000    
 C   -4.785800     -0.8615000      0.5215000    
 C   -4.453600       1.394300     -0.2770000    
 C   -2.945200      -2.533600      0.5276000    
 C   -2.253000       2.169900      -1.136500    
 C   -5.286700      0.4146000      0.2634000    
 C    3.210100       2.159300      0.3975000    
 C    3.660900      -1.919900     -0.2504000    
 H   0.9857000     -0.6433000      -1.531600    
 H    1.173800      -1.848100     -0.2407000    
 H    1.149000       1.835100      0.3612000    
 H    1.910700       1.644300      -1.218100    
 H    4.357600      4.1700002E-02 -0.1655000    
 H    3.449300     -0.3067000      -1.641500    
 H   -1.150200      -1.012800      -1.436300    
 H   -5.448600      -1.612500      0.9431000    
 H   -4.860100       2.383400     -0.4710000    
 H   -2.520100      -2.984600     -0.3753000    
 H   -2.181100      -2.502900       1.311200    
 H   -3.744200      -3.198300      0.8738000    
 H   -1.787200       1.829800      -2.067500    
 H   -2.825400       3.073000      -1.375200    
 H   -1.471700       2.453400     -0.4239000    
 H   -6.325000      0.6453000      0.4833000    
 H    4.603200       3.401600     -0.1622000    
 H    3.899200      -3.631500      -1.151100    


%chk=000042963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042963

0 1
O -0.808567 2.443336 -1.613693
O 2.939542 1.087589 2.649113
O 2.873615 -3.237822 -1.180129
O 2.571805 -0.984535 1.663977
O 0.822831 -2.252605 -0.739264
N 2.048473 0.344051 -0.867063
N -0.816469 0.240558 -0.764850
C 1.231408 1.096701 -1.829278
C -2.158209 0.155940 -0.253529
C 2.517390 1.094679 0.291983
C 2.791305 -0.830916 -1.293725
C -0.238892 1.333162 -1.380741
C -2.320829 -0.262734 1.102071
C -3.283878 0.425412 -1.086149
C -3.629531 -0.379486 1.624518
C -4.577283 0.310655 -0.515868
C -1.113585 -0.559211 1.973950
C -3.133921 0.784829 -2.549723
C -4.755952 -0.083455 0.826001
C 2.655215 0.257107 1.560282
C 2.035846 -2.139105 -1.021334
H 1.644204 2.103897 -2.045491
H 1.207156 0.541851 -2.786344
H 1.802945 1.908772 0.511377
H 3.504508 1.594922 0.132870
H 3.769115 -0.907549 -0.785116
H 3.013180 -0.807779 -2.382025
H -0.183987 -0.560841 -0.585849
H -3.762012 -0.694812 2.666160
H -5.450305 0.519882 -1.145322
H -0.505346 -1.395170 1.579411
H -0.444232 0.320280 2.039172
H -1.427839 -0.825400 2.997410
H -2.393182 0.131010 -3.047719
H -4.096879 0.684086 -3.079099
H -2.766991 1.821297 -2.661423
H -5.765078 -0.170088 1.244191
H 3.049965 0.537069 3.471230
H 2.369263 -4.078480 -1.007280


