%chk=000063326.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063326

0 1
 O    1.226600      -2.743600     -0.9998000    
 O   -2.638200      0.1521000      -2.017300    
 N   -2.556700      -1.074600     -3.6400001E-02
 N   -4.233000     -0.8081000       1.628700    
 C    6.742700       1.758600      3.5700001E-02
 C    6.185700      0.7673000       1.087000    
 C    4.892200      0.1285000      0.7085000    
 C   -1.331800      -1.760700     -0.4169000    
 C  -8.7600000E-02  -1.004600      3.6800001E-02
 C    6.891500       1.103600      -1.339900    
 C    5.834500       2.985900     -7.3600002E-02
 C    2.505800      -1.050100      9.6000005E-03
 C    3.685800      0.7321000       1.063600    
 C    4.888900      -1.072600     -6.0000003E-04
 C    1.211400      -1.689700     -0.3680000    
 C    2.476200      0.1346000      0.7092000    
 C    3.679200      -1.670000     -0.3549000    
 C   -3.106900     -0.1444000     -0.9225000    
 C   -4.351800      0.5021000     -0.4472000    
 C   -4.861800      0.1430000      0.8077000    
 C   -3.148900      -1.351500       1.182300    
 C   -5.002500       1.453100      -1.240300    
 C   -6.037900      0.7538000       1.257000    
 C   -6.173200       2.051900     -0.7776000    
 C   -6.690500       1.703300      0.4688000    
 H    7.731400       2.089400      0.3776000    
 H    6.078700       1.278000       2.053400    
 H    6.935000     -1.6300000E-02   1.264100    
 H   -1.335300      -2.762900      2.9400000E-02
 H   -1.313200      -1.893400      -1.505300    
 H  -0.1057000     -1.8000000E-03 -0.4058000    
 H  -0.1110000     -0.9134000       1.129100    
 H    5.927000      0.8719000      -1.802700    
 H    7.481700      0.1838000      -1.274800    
 H    7.417800       1.781700      -2.021300    
 H    6.309400       3.748800     -0.7008000    
 H    4.867700       2.752000     -0.5297000    
 H    5.657100       3.434100      0.9096000    
 H    3.673000       1.665000       1.620900    
 H    5.820300      -1.558000     -0.2795000    
 H    1.564400      0.6386000       1.007600    
 H    3.699100      -2.605400     -0.9054000    
 H   -2.614200      -2.100300       1.787200    
 H   -4.615000       1.738100      -2.214300    
 H   -6.454200      0.4929000       2.227100    
 H   -6.683000       2.790900      -1.388900    
 H   -7.602800       2.170900      0.8277000    


%chk=000063326-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063326

0 1
O 1.154557 -2.843570 -0.720958
O -2.341895 0.566881 -1.680126
N -2.665977 -1.148806 -0.114377
N -4.616861 -1.286111 1.307663
C 6.878757 1.780109 -0.061237
C 6.263089 0.920192 1.099455
C 4.935574 0.255014 0.775917
C -1.369158 -1.756909 -0.507520
C -0.171908 -0.946381 0.025390
C 7.218536 0.928090 -1.306047
C 5.984348 2.982873 -0.441032
C 2.432509 -0.983058 0.127155
C 3.703835 0.923022 1.013599
C 4.886625 -1.052544 0.216591
C 1.152980 -1.673971 -0.227486
C 2.471437 0.320126 0.693169
C 3.660687 -1.662088 -0.102624
C -3.077695 0.047127 -0.785998
C -4.381756 0.568423 -0.336170
C -5.106528 -0.110814 0.699475
C -3.452497 -1.736602 0.879102
C -4.916985 1.744354 -0.925138
C -6.359622 0.408445 1.127410
C -6.156110 2.243991 -0.493008
C -6.876468 1.572883 0.536661
H 7.831152 2.181817 0.345191
H 6.140188 1.580745 1.980093
H 7.004974 0.145336 1.374913
H -1.336842 -2.791701 -0.128641
H -1.325627 -1.798114 -1.608254
H -0.160885 0.046813 -0.460352
H -0.280982 -0.769179 1.114676
H 6.304102 0.508452 -1.763938
H 7.890283 0.086685 -1.050572
H 7.725428 1.545074 -2.070975
H 6.490393 3.619258 -1.190330
H 5.026199 2.646326 -0.877591
H 5.757070 3.612621 0.440036
H 3.716816 1.925338 1.457417
H 5.824061 -1.592739 0.039021
H 1.543483 0.868436 0.887673
H 3.619756 -2.669435 -0.530511
H -3.043313 -2.651770 1.321358
H -4.339243 2.237622 -1.713672
H -6.894793 -0.126114 1.917841
H -6.571183 3.149979 -0.947001
H -7.842614 1.968474 0.868855


