%chk=000081619.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081619

0 1
 O    3.902500      0.3848000     -0.2747000    
 N   -3.527200     -0.1993000     -0.2866000    
 N   -1.544700     -9.6600004E-02  0.6697000    
 N   -2.167900     -8.6599998E-02 -0.4143000    
 C  -0.1719000      2.4800001E-02  0.4324000    
 C    2.566600      0.2668000     -4.1600000E-02
 C   0.4179000       1.287700      0.3800000    
 C   0.6076000      -1.117100      0.2480000    
 C    1.787200       1.408700      0.1430000    
 C    1.976900     -0.9961000      1.1000000E-02
 C   -4.181900     -0.3200000       1.004600    
 C   -4.304600      0.2665000      -1.417100    
 C    4.639500     -0.8236000     -0.4543000    
 H  -0.1808000       2.183500      0.5231000    
 H   0.1564000      -2.105200      0.2880000    
 H    2.241000       2.395200      0.1031000    
 H    2.522600      -1.923700     -0.1234000    
 H   -3.631200      -1.008600       1.651400    
 H   -5.189000     -0.7224000      0.8614000    
 H   -4.245000      0.6692000       1.465900    
 H   -4.552800       1.320800      -1.267500    
 H   -5.220500     -0.3259000      -1.494700    
 H   -3.728600      0.1493000      -2.339900    
 H    4.304000      -1.371500      -1.341400    
 H    4.621500      -1.443900      0.4482000    
 H    5.683400     -0.5427000     -0.6282000    


%chk=000081619-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081619

0 1
O 4.062890 0.100204 0.295268
N -3.641952 -0.163982 -0.245848
N -1.594549 0.423702 0.437592
N -2.295125 -0.333820 -0.383366
C -0.179707 0.254501 0.309806
C 2.657647 0.098591 0.245553
C 0.614221 1.059086 1.174087
C 0.475093 -0.631594 -0.588891
C 2.016167 0.985575 1.145921
C 1.881819 -0.711996 -0.623825
C -4.215429 0.778217 0.727047
C -4.486620 -0.963925 -1.132724
C 4.771563 -0.796503 -0.618315
H 0.102522 1.738982 1.863244
H -0.129480 -1.253585 -1.256254
H 2.633473 1.601062 1.807157
H 2.360768 -1.402897 -1.325005
H -3.885791 0.525497 1.751709
H -5.313923 0.728022 0.659122
H -3.869268 1.808469 0.522289
H -5.104935 -0.321217 -1.789237
H -5.161374 -1.626454 -0.556637
H -3.825103 -1.582645 -1.758088
H 4.550941 -0.553312 -1.676347
H 4.517419 -1.856909 -0.422651
H 5.839735 -0.628968 -0.415507


