%chk=000028933.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028933

0 1
 O   0.1171000       2.243700       1.045200    
 N    1.520900      0.9016000     -0.2928000    
 N    2.492200       1.821700     -0.5957000    
 N   0.8022000      -1.247900       4.028000    
 C  -0.4146000     -0.1347000      0.6046000    
 C   0.4116000      -1.079000     -0.2558000    
 C  -0.4909000     -0.5972000       2.056600    
 C   0.4119000       1.184700      0.5093000    
 C    1.536000     -0.4138000     -0.7522000    
 C   -1.782900      8.8100001E-02  4.3099999E-02
 C   0.9016000     -0.7876000       2.648100    
 C   0.1862000      -2.410900     -0.5647000    
 C    2.460700      -1.044800      -1.565600    
 C   -1.929400      0.6377000      -1.228300    
 C   -2.904700     -0.2554000      0.7937000    
 C    1.109500      -3.063900      -1.385300    
 C    2.236500      -2.386500      -1.881300    
 C    3.134600       2.306000      0.6278000    
 C    1.918500       2.938800      -1.348700    
 C   -3.205300      0.8452000      -1.752200    
 C   -4.180700     -4.7899999E-02  0.2696000    
 C   -4.330900      0.5024000      -1.003300    
 H   -1.009700      -1.562600       2.139600    
 H   -1.022900      0.1373000       2.677900    
 H    1.471300      0.1465000       2.649700    
 H    1.486100      -1.530800       2.098300    
 H  -0.6810000      -2.939300     -0.1839000    
 H    3.332900     -0.5299000      -1.952300    
 H   -1.071700      0.9130000      -1.835500    
 H   -2.873700     -0.6896000       1.785500    
 H   0.9560000      -4.108400      -1.643400    
 H    2.941400      -2.915000      -2.517700    
 H    4.000300       2.926300      0.3681000    
 H    3.521400       1.468200       1.220300    
 H    2.480600       2.907400       1.267700    
 H    1.215800       3.549000     -0.7717000    
 H    1.402600       2.576300      -2.245700    
 H    2.720000       3.599700      -1.698200    
 H   0.2785000      -2.121900       4.062000    
 H   0.2639000     -0.5775000       4.575900    
 H   -3.322600       1.273300      -2.743500    
 H   -5.058300     -0.3153000      0.8512000    
 H   -5.324400      0.6635000      -1.411400    


%chk=000028933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028933

0 1
O 0.075772 2.131806 1.329243
N 1.468597 1.013802 -0.228901
N 2.440180 2.025485 -0.482618
N 0.600910 -1.659293 4.094656
C -0.425132 -0.234487 0.552728
C 0.482272 -1.077728 -0.341993
C -0.574829 -0.836723 1.993018
C 0.358914 1.121103 0.630623
C 1.572115 -0.289517 -0.791875
C -1.829186 0.046723 -0.043508
C 0.762073 -1.094168 2.741555
C 0.408001 -2.426934 -0.724543
C 2.578485 -0.790553 -1.632801
C -2.290801 -0.580273 -1.227939
C -2.691896 0.960629 0.620943
C 1.415252 -2.964156 -1.569612
C 2.481926 -2.150067 -2.021819
C 3.237788 2.350282 0.733040
C 1.838408 3.211645 -1.151064
C -3.589409 -0.319553 -1.723831
C -3.985933 1.221981 0.123843
C -4.445748 0.577632 -1.048664
H -1.141252 -1.786058 1.909021
H -1.190993 -0.142256 2.594954
H 1.321367 -0.143555 2.836590
H 1.397110 -1.782393 2.154044
H -0.413864 -3.062203 -0.374716
H 3.399859 -0.145535 -1.957299
H -1.636312 -1.266625 -1.772956
H -2.332777 1.492565 1.508143
H 1.366262 -4.015155 -1.873797
H 3.249554 -2.577652 -2.676610
H 4.061406 3.018909 0.427545
H 3.676631 1.421814 1.134874
H 2.638833 2.846345 1.524370
H 1.139563 3.771231 -0.495464
H 1.301974 2.880534 -2.055331
H 2.661977 3.879645 -1.458588
H 0.220005 -2.610660 4.111653
H 0.112207 -1.041900 4.751043
H -3.927314 -0.816623 -2.640463
H -4.633415 1.933610 0.648736
H -5.451982 0.778826 -1.433228


