%chk=000018869.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018869

0 1
 O   0.4462000      -1.667500      0.9013000    
 N    2.437100      0.2552000      0.7380000    
 N    1.101900      0.5114000      0.4471000    
 C    3.270700      0.5312000     -0.4120000    
 C    2.881600     -0.4033000      -1.549900    
 C    4.735700      0.3615000     -3.0800000E-02
 C   -1.218700     -0.1672000      0.2112000    
 C   0.1831000     -0.5172000      0.5592000    
 C   -2.058100      -1.160400     -0.2482000    
 C   -1.634900       1.139300      0.3595000    
 C   -3.373800     -0.8322000     -0.5746000    
 C   -2.950700       1.467500      3.3100002E-02
 C   -3.820200      0.4817000     -0.4339000    
 H    3.131100       1.569000     -0.7421000    
 H    2.691800      0.8704000       1.510000    
 H    3.562800     -0.2727000      -2.398600    
 H    2.935900      -1.455600      -1.247200    
 H    1.871400     -0.2067000      -1.924500    
 H    5.015800       1.047100      0.7767000    
 H    5.385300      0.5758000     -0.8865000    
 H    4.949600     -0.6602000      0.3035000    
 H   0.8718000       1.442400      0.1156000    
 H   -1.724600      -2.186900     -0.3684000    
 H   -1.001200       1.928000      0.7512000    
 H   -4.050800      -1.599300     -0.9391000    
 H   -3.301200       2.488900      0.1498000    
 H   -4.845200      0.7371000     -0.6865000    


%chk=000018869-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018869

0 1
O 0.479139 -1.725562 0.720678
N 2.460135 0.327700 0.665964
N 1.087071 0.529199 0.427396
C 3.357683 0.508794 -0.507526
C 3.080108 -0.580868 -1.560466
C 4.809032 0.454593 0.008631
C -1.260263 -0.111949 0.186995
C 0.166025 -0.527969 0.474518
C -2.132040 -1.094749 -0.347591
C -1.765161 1.186507 0.463304
C -3.477044 -0.778522 -0.630365
C -3.114682 1.500467 0.185419
C -3.971251 0.522089 -0.369491
H 3.189417 1.510341 -0.983273
H 2.774070 0.816177 1.514976
H 3.735684 -0.442381 -2.439700
H 3.257655 -1.578085 -1.122872
H 2.031175 -0.546094 -1.904343
H 5.013461 1.256486 0.744653
H 5.517408 0.577429 -0.828811
H 5.001478 -0.519930 0.491486
H 0.773567 1.426046 0.029632
H -1.734069 -2.100023 -0.521128
H -1.127870 1.943130 0.936457
H -4.141217 -1.542895 -1.048512
H -3.499669 2.500779 0.412682
H -5.017441 0.766591 -0.584812


