%chk=000044242.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044242

0 1
 O   -5.164200      0.9522000     -5.9300002E-02
 N    4.736900      0.2055000      0.1099000    
 N    1.023200     -9.1600001E-02  9.2299998E-02
 N   0.2579000      -2.337400      0.3883000    
 C    3.341700      0.6353000      2.3000000E-02
 C    5.030800     -0.7885000     -0.9216000    
 C    5.634000       1.353500     -1.5900001E-02
 C    2.409200     -0.5606000      0.1542000    
 C    6.454300      -1.295100     -0.8144000    
 C    5.349500       2.398800       1.042700    
 C   9.0599999E-02 -0.9793000      0.2098000    
 C   -1.316000     -0.4625000      0.1372000    
 C   -2.291800      -1.129700      0.8347000    
 C   -1.561800      0.6534000     -0.6228000    
 C   -3.888600      0.4826000      5.2999998E-03
 C   -3.599700     -0.6493000      0.7676000    
 C   -2.869500       1.134000     -0.6898000    
 C   -6.215600     -4.1000000E-03  6.7100003E-02
 C   -7.421000      0.4830000     -0.7085000    
 H    3.140400       1.164900     -0.9180000    
 H    3.083500       1.318000      0.8401000    
 H    4.425700      -1.689200     -0.7907000    
 H    4.845100     -0.4031000      -1.931900    
 H    6.673200       1.047000      0.1426000    
 H    5.573800       1.812300      -1.011000    
 H    2.534300      -1.261800     -0.6753000    
 H    2.597900      -1.077700       1.103400    
 H    6.576400      -2.188000      -1.438600    
 H    6.709300      -1.579400      0.2124000    
 H    7.186800     -0.5651000      -1.172500    
 H    6.172000       3.122700       1.073600    
 H    5.269800       1.956600       2.041800    
 H    4.441300       2.972500      0.8332000    
 H   -2.090400      -1.993800       1.459100    
 H  -0.7864000       1.169000      -1.180400    
 H   -4.357300      -1.165700       1.349800    
 H   -3.089300       2.014800      -1.287100    
 H  -0.5202000      -2.987900      0.3947000    
 H    1.179200      -2.755600      0.4554000    
 H   -5.931300     -0.9802000     -0.3457000    
 H   -6.476000     -0.1149000       1.125500    
 H   -8.252200     -0.2229000     -0.6246000    
 H   -7.748900       1.459800     -0.3378000    
 H   -7.172300      0.6120000      -1.767100    


%chk=000044242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044242

0 1
O -5.303784 0.634343 -0.698719
N 4.815207 0.328183 -0.204240
N 1.054352 -0.070167 0.027809
N 0.353256 -2.157459 0.997704
C 3.372884 0.652180 -0.352219
C 5.316227 -0.541974 -1.302190
C 5.664759 1.527553 0.021803
C 2.466954 -0.445104 0.240363
C 6.537285 -1.388211 -0.893268
C 5.542320 2.083720 1.453496
C 0.113076 -0.917802 0.390475
C -1.319040 -0.558316 0.154202
C -2.391035 -1.178572 0.842167
C -1.625591 0.459183 -0.792233
C -4.016943 0.190682 -0.362836
C -3.734582 -0.815994 0.593154
C -2.952217 0.830091 -1.051559
C -6.451426 0.011548 -0.009321
C -7.710755 0.670786 -0.565201
H 3.082620 0.819244 -1.416809
H 3.149725 1.593040 0.180195
H 4.494672 -1.225143 -1.589018
H 5.559326 0.055737 -2.218219
H 6.717226 1.236342 -0.151587
H 5.435414 2.336560 -0.718158
H 2.713457 -1.426808 -0.233694
H 2.716678 -0.544493 1.321490
H 6.858480 -2.036383 -1.730421
H 6.284516 -2.023920 -0.026640
H 7.399205 -0.757440 -0.609553
H 6.196125 2.966704 1.584053
H 5.835920 1.312144 2.186571
H 4.507638 2.395698 1.684552
H -2.195524 -1.927762 1.619151
H -0.789102 0.946620 -1.301883
H -4.535673 -1.308831 1.151454
H -3.194846 1.609686 -1.780151
H -0.385437 -2.846873 1.104172
H 1.302545 -2.430209 1.238278
H -6.449444 -1.081194 -0.202762
H -6.359047 0.177610 1.083971
H -8.608579 0.243201 -0.082820
H -7.695888 1.757780 -0.377022
H -7.786656 0.508521 -1.653836


