%chk=000017319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017319

0 1
 O   0.6190000       3.094000      0.4241000    
 N   0.9089000      0.7799000      0.1447000    
 N    4.572600      -1.320000     -0.1681000    
 N   2.2900000E-02 -0.2416000     -9.8000001E-03
 C    2.329500      0.5417000      8.2800001E-02
 C    2.725100     -8.4899999E-02  -1.254500    
 C    2.782800     -0.3503000       1.238200    
 C    4.213900     -0.4347000      -1.284700    
 C    4.269400     -0.6926000       1.125600    
 C   0.1993000       1.956700      0.2893000    
 C   -1.254200       1.585100      0.2549000    
 C   -1.253800      0.2479000      9.4599999E-02
 C    5.987000      -1.686500     -0.2398000    
 C   -2.331700       2.593400      0.3724000    
 C   -2.404100     -0.6570000      3.8699999E-02
 C   -2.749900       3.156800     -0.9803000    
 C   -3.015200     -0.9508000      -1.186400    
 C   -2.905500      -1.238200       1.209900    
 C   -4.110900      -1.812300      -1.239700    
 C   -4.001200      -2.099800       1.156600    
 C   -4.603800      -2.386800     -6.8300001E-02
 H    2.828100       1.515300      0.1753000    
 H    2.492700      0.6058000      -2.074600    
 H    2.144300     -0.9970000      -1.445200    
 H    2.206600      -1.284300       1.261000    
 H    2.592700      0.1517000       2.194900    
 H    4.428000     -0.9337000      -2.237700    
 H    4.809100      0.4877000      -1.259500    
 H    4.868000      0.2167000       1.269200    
 H    4.523700      -1.381100       1.940800    
 H   0.2609000      -1.212400      0.1367000    
 H    6.204200      -2.199300      -1.183500    
 H    6.244300      -2.386200      0.5631000    
 H    6.645600     -0.8139000     -0.1616000    
 H   -3.208700       2.143600      0.8531000    
 H   -2.013700       3.411300       1.029200    
 H   -3.547900       3.894800     -0.8508000    
 H   -3.123700       2.367900      -1.641500    
 H   -1.909800       3.651100      -1.479700    
 H   -2.643600     -0.5111000      -2.109200    
 H   -2.447500      -1.025100       2.173200    
 H   -4.580400      -2.035700      -2.193300    
 H   -4.385300      -2.547300       2.068700    
 H   -5.456900      -3.057600     -0.1097000    


%chk=000017319-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017319

0 1
O 0.741022 2.930230 0.665095
N 0.812169 0.553861 0.568711
N 4.628605 -1.121882 -0.520966
N -0.118253 -0.475710 0.272246
C 2.254463 0.380413 0.331555
C 2.586892 0.156756 -1.165211
C 2.858014 -0.753681 1.190571
C 4.107293 -0.011892 -1.355589
C 4.371662 -0.876839 0.917385
C 0.140140 1.811111 0.574018
C -1.291810 1.491725 0.420828
C -1.408260 0.110668 0.291403
C 6.051347 -1.405205 -0.793446
C -2.339275 2.569904 0.301607
C -2.577533 -0.780750 0.165033
C -2.092349 3.498614 -0.918553
C -2.509931 -1.935169 -0.665151
C -3.776662 -0.526110 0.886320
C -3.613507 -2.807511 -0.773946
C -4.881311 -1.395172 0.767896
C -4.805630 -2.539232 -0.061249
H 2.681017 1.352159 0.651885
H 2.227570 1.018023 -1.757810
H 2.068642 -0.751615 -1.524758
H 2.385367 -1.722417 0.930620
H 2.680844 -0.552666 2.263532
H 4.328656 -0.236954 -2.415454
H 4.619735 0.956129 -1.107573
H 4.884915 0.057544 1.271455
H 4.789893 -1.720044 1.497878
H 0.036553 -1.363406 0.765152
H 6.183557 -1.649844 -1.862579
H 6.377784 -2.278388 -0.200365
H 6.729835 -0.548339 -0.549392
H -3.346637 2.123165 0.224068
H -2.325351 3.190239 1.219798
H -2.849810 4.303129 -0.953135
H -2.149602 2.929661 -1.864388
H -1.093178 3.960377 -0.846603
H -1.598627 -2.123898 -1.243968
H -3.827175 0.333942 1.561869
H -3.548476 -3.688617 -1.421949
H -5.797500 -1.187291 1.331570
H -5.664297 -3.213819 -0.149308


