%chk=000058286.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058286

0 1
 O   -2.199500       1.191000      0.1712000    
 O   -3.062200     -0.9530000     -0.2960000    
 N    2.049700     -0.4313000      0.2700000    
 N    4.400500     -7.7000000E-02 -8.9699998E-02
 C  -0.7421000     -0.5116000     -0.7175000    
 C   -2.160300      7.5400002E-02 -0.7255000    
 C  -0.3030000     -0.9591000      0.6814000    
 C    1.128600      -1.483900      0.7012000    
 C   -1.290700       2.222400     -0.1898000    
 C   -4.412400     -0.5090000     -0.2681000    
 C   -1.404400       3.352300      0.8114000    
 C   -5.296500      -1.647800      0.1934000    
 C    3.281900     -0.8108000      0.2623000    
 C    5.731700     -0.6648000     -3.9000001E-02
 C    4.278800       1.207300     -0.7653000    
 H  -0.7425000      -1.401400      -1.362000    
 H  -1.8100001E-02  0.1730000      -1.167400    
 H   -2.435100      0.3948000      -1.738400    
 H  -0.3765000     -0.1231000       1.386600    
 H  -0.9707000      -1.747100       1.049200    
 H    1.371600      -1.806100       1.721300    
 H    1.205900      -2.355800      3.9500002E-02
 H   -1.523900       2.587800      -1.195700    
 H  -0.2520000       1.886800     -0.1580000    
 H   -4.521700      0.3328000      0.4240000    
 H   -4.715500     -0.1872000      -1.270400    
 H  -0.7204000       4.168200      0.5612000    
 H   -2.426700       3.744100      0.8353000    
 H   -1.176200       2.997100       1.821800    
 H   -6.345600      -1.340700      0.2248000    
 H   -5.200000      -2.507300     -0.4781000    
 H   -4.997800      -1.988000       1.190500    
 H    3.556700      -1.833100      0.5812000    
 H    5.817100      -1.374800      0.7906000    
 H    5.943900      -1.194300     -0.9731000    
 H    6.499700      0.1014000      0.1098000    
 H    4.062900       1.053300      -1.827300    
 H    3.472400       1.805400     -0.3282000    
 H    5.199500       1.794300     -0.6820000    


%chk=000058286-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058286

0 1
O -2.007757 1.202101 0.161538
O -2.868428 -0.962014 -0.160394
N 2.257551 -0.606617 1.034164
N 4.204413 -0.149504 -0.250250
C -0.478216 -0.733889 -0.318118
C -1.831689 -0.063889 -0.586522
C -0.202092 -0.997656 1.174736
C 1.211600 -1.577198 1.411816
C -1.201650 2.313440 -0.365567
C -4.235544 -0.491532 -0.470812
C -1.673252 3.590738 0.330893
C -5.198661 -1.598946 -0.046635
C 3.161964 -0.971207 0.163719
C 5.178592 -0.594020 -1.246309
C 4.351444 1.202975 0.296365
H -0.454955 -1.684678 -0.887290
H 0.323519 -0.089945 -0.727824
H -1.947946 0.177941 -1.676536
H -0.302006 -0.051128 1.736940
H -0.959611 -1.697238 1.574334
H 1.319467 -1.801192 2.492423
H 1.308498 -2.547811 0.861745
H -1.337423 2.388178 -1.469289
H -0.124339 2.131551 -0.163536
H -4.426707 0.450895 0.075063
H -4.310694 -0.286288 -1.562592
H -1.083772 4.460607 -0.012968
H -2.739697 3.779358 0.116961
H -1.552861 3.495872 1.423904
H -6.243165 -1.300327 -0.252013
H -4.985681 -2.534399 -0.592692
H -5.098485 -1.799423 1.034094
H 3.180789 -1.971072 -0.322243
H 4.949626 -1.626088 -1.563748
H 5.164048 0.054268 -2.146921
H 6.209291 -0.580458 -0.835785
H 4.223535 1.971253 -0.493446
H 3.574778 1.341000 1.065282
H 5.352614 1.336538 0.752713


