%chk=000063509.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063509

0 1
 O    1.199000      -1.390800      -1.224500    
 O    4.672000      -1.762100       1.343800    
 O    6.266400      0.3044000      0.3879000    
 N   3.3000000E-03  0.7685000     -8.2199998E-02
 N  -0.6200000     -0.4612000     -9.9299997E-02
 N   -2.455900      -1.763900      0.6023000    
 C   0.7291000       1.106700       1.121600    
 C   -1.859600     -0.6136000      0.5172000    
 C  -0.2608000       1.653000      -1.128000    
 C   0.1004000      -1.493100     -0.6893000    
 C  -0.5818000      -2.805200     -0.6157000    
 C    2.204000      0.8893000      0.9268000    
 C   -1.824600      -2.884100      3.0300001E-02
 C   -2.522000      0.5685000       1.103600    
 C  -0.4113000       3.025400     -0.8800000    
 C  -0.3794000       1.185200      -2.444900    
 C   1.1000000E-02  -3.941800      -1.175100    
 C    2.760300     -0.3469000       1.228400    
 C    2.992200       1.927900      0.4483000    
 C   -2.464100      -4.126600      0.1053000    
 C   -2.276200      0.9113000       2.429700    
 C   -3.387800       1.331500      0.3262000    
 C  -0.6412000      -5.170900      -1.090900    
 C    4.128700     -0.5482000       1.048400    
 C   -1.876200      -5.263800     -0.4519000    
 C  -0.6747000       3.910200      -1.925600    
 C  -0.6426000       2.070000      -3.490700    
 C    4.360600       1.726700      0.2683000    
 C    4.928900      0.4886000      0.5683000    
 C  -0.7902000       3.432500      -3.231000    
 C   -2.902400       2.027900       2.983700    
 C   -4.013800       2.448100      0.8801000    
 C   -3.771100       2.796300       2.208900    
 H   0.4198000      0.4709000       1.961100    
 H   0.5401000       2.125400       1.476300    
 H  -0.3509000       3.438100      0.1222000    
 H  -0.2727000      0.1364000      -2.700000    
 H   0.9736000      -3.889100      -1.675700    
 H    2.137300      -1.153200       1.607300    
 H    2.562100       2.897300      0.2140000    
 H   -3.428600      -4.216700      0.5996000    
 H   -1.617000      0.3109000       3.050100    
 H   -3.584200       1.067800     -0.7096000    
 H  -0.1861000      -6.057200      -1.523100    
 H   -2.382700      -6.222400     -0.3871000    
 H  -0.7950000       4.970500      -1.723200    
 H  -0.7330000       1.698600      -4.507300    
 H    4.978600       2.538600     -0.1055000    
 H  -0.9966000       4.121300      -4.045000    
 H   -2.716500       2.296700       4.019500    
 H   -4.690000       3.046600      0.2766000    
 H   -4.259100       3.665400       2.640300    
 H    3.969300      -2.355600       1.659900    
 H    6.486800     -0.6079000      0.6444000    


%chk=000063509-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063509

0 1
O 0.936858 -1.731581 -1.307234
O 5.181404 -0.405989 -0.639588
O 6.391142 1.350239 1.020260
N -0.032391 0.570031 -0.173295
N -0.775239 -0.629346 -0.112978
N -2.649685 -1.827520 0.811495
C 0.634109 1.016760 1.070833
C -2.011268 -0.683444 0.599990
C -0.037836 1.319222 -1.377457
C -0.166543 -1.808369 -0.696871
C -0.930471 -3.048062 -0.492434
C 2.160523 1.113569 1.012595
C -2.135230 -3.017376 0.279162
C -2.599064 0.555212 1.192043
C 0.676786 2.548590 -1.452809
C -0.779008 0.884474 -2.512207
C -0.449448 -4.273802 -1.023736
C 2.918707 0.274300 0.160346
C 2.828399 2.033656 1.857218
C -2.843885 -4.230674 0.507022
C -3.168645 0.443837 2.489883
C -2.680731 1.795816 0.505477
C -1.160687 -5.462068 -0.793050
C 4.318425 0.367112 0.172190
C -2.360117 -5.436894 -0.024036
C 0.644336 3.313352 -2.637496
C -0.797991 1.660784 -3.688743
C 4.240537 2.112869 1.872646
C 4.994156 1.277602 1.027710
C -0.090333 2.882360 -3.765482
C -3.779544 1.556705 3.102865
C -3.304485 2.903905 1.118714
C -3.846679 2.793986 2.420268
H 0.337869 0.291271 1.850903
H 0.215820 1.996743 1.381158
H 1.273614 2.896904 -0.606288
H -1.331784 -0.058890 -2.483238
H 0.477303 -4.260186 -1.606121
H 2.402010 -0.423123 -0.512762
H 2.248930 2.695954 2.512031
H -3.764100 -4.185986 1.096897
H -3.133026 -0.525553 2.996401
H -2.293346 1.896585 -0.511725
H -0.796069 -6.409490 -1.203340
H -2.909847 -6.367835 0.152593
H 1.206340 4.253556 -2.675059
H -1.371926 1.303091 -4.551152
H 4.766957 2.818538 2.521941
H -0.107493 3.480377 -4.682356
H -4.205974 1.458325 4.107077
H -3.371245 3.851536 0.573544
H -4.323866 3.659595 2.893085
H 4.673241 -1.005180 -1.237839
H 6.735889 0.696708 0.355748


