%chk=000042487.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042487

0 1
 O    1.555800       1.887300     -0.5583000    
 O   -5.010400      -1.777000      0.3188000    
 N    5.231000     -0.6652000      0.4365000    
 N    1.640200      0.1519000      0.9786000    
 N   -4.639300      0.4787000     -0.2413000    
 C    3.786300     -0.7332000      0.2193000    
 C    5.886900      -1.852000     -0.1112000    
 C    5.781900      0.5476000     -0.1669000    
 C    3.061200      0.1827000       1.194200    
 C    5.691000      -1.942600      -1.615100    
 C    7.272600      0.6661000      0.1016000    
 C   0.9945000       1.020400      0.1064000    
 C  -0.4814000      0.8780000      1.5300000E-02
 C   -1.266900       1.974500     -0.3406000    
 C   -1.082000     -0.3515000      0.2858000    
 C   -3.253200      0.6120000     -0.1550000    
 C   -2.652600       1.841600     -0.4257000    
 C   -2.467900     -0.4845000      0.2008000    
 C   -5.412800     -0.6668000     -7.8999996E-03
 C   -6.866900     -0.3983000     -0.2059000    
 C   -7.767900      -1.369700     -2.9300001E-02
 H    3.416300      -1.752500      0.3962000    
 H    3.505300     -0.4738000     -0.8098000    
 H    6.951400      -1.888900      0.1431000    
 H    5.465200      -2.749500      0.3601000    
 H    5.574700      0.6494000      -1.238100    
 H    5.326900       1.426700      0.3030000    
 H    3.388700       1.223100       1.111200    
 H    3.237600     -0.1397000       2.226800    
 H    4.641600      -1.971400      -1.920900    
 H    6.203200      -1.150800      -2.168600    
 H    6.131500      -2.884000      -1.965700    
 H    7.508800      0.4987000       1.158300    
 H    7.866000     -2.2500001E-02 -0.5072000    
 H    7.610800       1.677800     -0.1498000    
 H    1.109700     -0.5044000       1.541200    
 H  -0.8182000       2.941800     -0.5509000    
 H  -0.5046000      -1.237000      0.5347000    
 H   -3.252400       2.704700     -0.7033000    
 H   -2.858000      -1.469000      0.4172000    
 H   -5.133600       1.328000     -0.5076000    
 H   -7.187300      0.5965000     -0.4954000    
 H   -8.823000      -1.163300     -0.1761000    
 H   -7.492500      -2.377700      0.2598000    


%chk=000042487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042487

0 1
O 1.584066 1.871192 -0.138506
O -5.297403 -1.704755 0.314445
N 5.320701 -0.599161 0.183914
N 1.664447 -0.090374 1.102206
N -4.748831 0.523218 -0.218224
C 3.857705 -0.801885 0.094278
C 6.132126 -1.797977 -0.140580
C 5.767237 0.667175 -0.454507
C 3.129114 -0.047967 1.240713
C 6.116555 -2.262718 -1.623916
C 7.157367 1.129461 0.019924
C 0.980109 0.874334 0.379110
C -0.510835 0.703838 0.252840
C -1.263666 1.835153 -0.155521
C -1.199593 -0.514385 0.487087
C -3.340311 0.532750 -0.050132
C -2.656532 1.756139 -0.300790
C -2.597192 -0.614180 0.341847
C -5.648453 -0.538836 -0.042677
C -7.070455 -0.160040 -0.320207
C -8.071040 -1.069801 -0.203967
H 3.638528 -1.883911 0.176983
H 3.430862 -0.456060 -0.875794
H 7.176040 -1.603354 0.168476
H 5.770904 -2.624635 0.501501
H 5.757531 0.595554 -1.570797
H 5.025513 1.445132 -0.196218
H 3.432687 1.012510 1.230112
H 3.422241 -0.482140 2.212373
H 5.088255 -2.485216 -1.964015
H 6.539404 -1.494533 -2.296457
H 6.720224 -3.182058 -1.741772
H 7.181029 1.196270 1.122043
H 7.959044 0.439924 -0.301408
H 7.389329 2.125933 -0.398995
H 1.148156 -0.840343 1.561033
H -0.722407 2.764411 -0.359306
H -0.652960 -1.426457 0.756819
H -3.222159 2.643926 -0.612604
H -3.121293 -1.555129 0.516037
H -5.158344 1.414541 -0.509446
H -7.287591 0.874670 -0.621976
H -9.115628 -0.810710 -0.403465
H -7.836282 -2.097311 0.097840


