%chk=000003498.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003498

0 1
 O   -1.307100      0.5830000      -1.354100    
 O  -0.2835000      -3.045800       1.795000    
 O   -1.720300       2.241900       1.756300    
 O   -3.007400       4.491600      0.9761000    
 N   -1.224300     -0.8216000      0.4886000    
 N    4.607800     -0.4830000      0.7136000    
 N    1.383100      -3.195800      0.1848000    
 N   -3.618300       3.234000      0.8846000    
 C   -3.359300      0.1784000     -0.1649000    
 C   -4.123300      -1.156800     -0.2724000    
 C   -4.072400      -1.828900      -1.661100    
 C   0.1893000      -1.107800      0.4178000    
 C   -3.593800      0.8470000       1.201600    
 C   -1.861200      1.0900000E-02 -0.4158000    
 C    1.015500     -0.1325000       1.266100    
 C    2.456600     -6.2899999E-02  0.8480000    
 C   -2.660600      -2.273000      -2.045800    
 C   -4.614700     -0.8642000      -2.719700    
 C    2.994300      0.8209000     -0.1074000    
 C   0.3921000      -2.539700      0.9015000    
 C   -2.863900       2.171000       1.311200    
 C    4.360000      0.5373000     -0.1769000    
 C    3.449100     -0.8531000       1.341900    
 C    2.470400       1.839100     -0.9284000    
 C    5.231400       1.223700      -1.030100    
 C    3.330200       2.534200      -1.786800    
 C    4.689100       2.229600      -1.835200    
 C    1.741400      -4.577300      0.4116000    
 H   -3.730600      0.8756000     -0.9256000    
 H   -3.757100      -1.869200      0.4773000    
 H   -5.177000     -0.9745000     -2.1500001E-02
 H   -4.718400      -2.715000      -1.624500    
 H   0.4846000      -1.035200     -0.6367000    
 H   -4.667300       1.014400       1.355000    
 H   -3.259600      0.2100000       2.029000    
 H   0.9556000     -0.4047000       2.328500    
 H   0.5887000      0.8760000       1.195800    
 H   -1.756300      -1.236800       1.247300    
 H   -2.038100      -1.470900      -2.444000    
 H   -2.151800      -2.773200      -1.216900    
 H   -2.731900      -3.010500      -2.855200    
 H   -3.937500     -2.7300000E-02  -2.916000    
 H   -5.589700     -0.4619000      -2.425500    
 H   -4.751300      -1.393200      -3.669900    
 H    3.451900      -1.643200       2.079700    
 H    5.514300     -0.8981000      0.8789000    
 H    1.413500       2.088700     -0.9042000    
 H    6.289500      0.9873000      -1.068500    
 H    1.872100      -2.704400     -0.5573000    
 H    2.931600       3.320300      -2.422600    
 H   -4.527700       3.188000      0.4389000    
 H    5.338800       2.782000      -2.509300    
 H    2.831000      -4.655900      0.3943000    
 H    1.357000      -4.931700       1.370800    
 H    1.320100      -5.176300     -0.3994000    
 H   -3.343200       4.908000      0.1645000    


%chk=000003498-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003498

0 1
O -1.145283 0.863363 -1.078635
O -0.542241 -3.423311 1.053584
O -1.729368 1.971354 2.121078
O -2.696351 4.381837 1.600334
N -1.238842 -0.984514 0.318298
N 4.688988 0.087076 0.991727
N 1.738847 -3.095920 0.681276
N -3.468267 3.201843 1.319248
C -3.350049 0.194159 -0.224751
C -4.178351 -1.095029 -0.491842
C -4.238071 -1.606533 -1.962308
C 0.207934 -1.197625 0.311094
C -3.695698 0.750072 1.199859
C -1.824220 0.041656 -0.375827
C 0.949818 -0.189186 1.269022
C 2.399364 0.022795 0.912434
C -2.883547 -2.131145 -2.499967
C -4.839451 -0.551051 -2.922971
C 2.892635 0.687062 -0.288247
C 0.432747 -2.672926 0.711881
C -2.893205 1.983971 1.581154
C 4.329488 0.709762 -0.211890
C 3.525906 -0.323660 1.664059
C 2.242359 1.279374 -1.406085
C 5.131074 1.290549 -1.220106
C 3.039361 1.860332 -2.411341
C 4.464160 1.863472 -2.322243
C 2.137372 -4.461094 1.044077
H -3.626615 0.963919 -0.967413
H -3.819047 -1.918829 0.159802
H -5.220758 -0.889063 -0.168038
H -4.937688 -2.469747 -1.940697
H 0.584703 -1.025826 -0.716064
H -4.780829 0.968499 1.234455
H -3.486419 -0.020185 1.963668
H 0.840693 -0.536083 2.312894
H 0.399439 0.766172 1.196246
H -1.777580 -1.729136 0.777929
H -2.152884 -1.312617 -2.629008
H -2.440939 -2.882929 -1.820399
H -3.025779 -2.607286 -3.488264
H -4.152089 0.303487 -3.064930
H -5.804620 -0.161066 -2.546179
H -5.020497 -0.994327 -3.919511
H 3.580820 -0.800356 2.641922
H 5.639374 -0.024433 1.336939
H 1.147315 1.291455 -1.470765
H 6.224881 1.304122 -1.153461
H 2.460759 -2.397135 0.475633
H 2.559209 2.325559 -3.279365
H -4.329494 3.416921 0.820521
H 5.051355 2.325858 -3.123917
H 2.827931 -4.460261 1.907706
H 1.226151 -5.017070 1.315547
H 2.629054 -4.969625 0.194622
H -1.842155 3.961796 1.950217


