%chk=000059241.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059241

0 1
 O   0.2592000      0.6419000       2.588800    
 N    3.348900     -0.5087000     -0.4163000    
 N  -0.5874000      -1.471000       2.449300    
 C  -0.4580000     -0.1354000      0.3580000    
 C   0.9019000     -0.6695000     -0.2492000    
 C    2.166400      8.2699999E-02  0.2051000    
 C   -1.654700      -1.017800     -0.1077000    
 C  -0.7865000       1.324900     -6.3800000E-02
 C  -0.2436000     -0.2489000       1.903600    
 C    3.478300      -1.915500     -3.6300000E-02
 C    4.551800      0.2339000     -3.9500002E-02
 C   -2.886800     -0.7270000      0.3972000    
 C   -1.468300       2.103100      0.8254000    
 C   -1.392100      -2.022800     -0.9900000    
 C  -0.3724000       1.737300      -1.296400    
 C    4.668200      -2.562800     -0.7244000    
 C    4.436500       1.698500     -0.4263000    
 C   -3.958300      -1.516700     -1.9600000E-02
 C   -1.763000       3.413100      0.4474000    
 C   -2.463800      -2.812300      -1.406900    
 C  -0.6669000       3.047200      -1.674300    
 C   -3.746900      -2.559200     -0.9217000    
 C   -1.362300       3.885100     -0.8024000    
 H   0.8932000     -0.6943000      -1.345100    
 H   0.9763000      -1.703000      0.1048000    
 H    2.042800       1.125500     -9.3699999E-02
 H    2.273300      5.9400000E-02   1.294500    
 H    3.556400      -2.046600       1.050100    
 H    2.629700      -2.508200     -0.3856000    
 H    4.765800      0.1523000       1.033700    
 H    5.424100     -0.1467000     -0.5807000    
 H   -3.083200      4.8599999E-02   1.124800    
 H   -1.809700       1.772100       1.798800    
 H  -0.4309000      -2.278600      -1.411200    
 H   0.1443000       1.110800      -2.011200    
 H    4.683900      -2.347200      -1.798400    
 H    5.622700      -2.256300     -0.2856000    
 H    4.610700      -3.651700     -0.6118000    
 H    5.424600       2.169500     -0.3702000    
 H    3.788300       2.262200      0.2519000    
 H    4.076500       1.823000      -1.453500    
 H  -0.9262000      -2.256300       1.904700    
 H  -0.4675000      -1.639400       3.442800    
 H   -4.956100      -1.325400      0.3644000    
 H   -2.307600       4.064800       1.124400    
 H   -2.300700      -3.624600      -2.109500    
 H  -0.3607000       3.413400      -2.650000    
 H   -4.580900      -3.175200      -1.244900    
 H   -1.593700       4.904400      -1.097700    


%chk=000059241-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059241

0 1
O 0.653579 -1.462899 2.406509
N 3.393054 -0.364240 -0.311698
N -1.613894 -1.057654 2.539709
C -0.452131 -0.448782 0.405483
C 0.932825 -0.733181 -0.275483
C 2.096216 0.185959 0.167130
C -1.593801 -1.192327 -0.344572
C -0.680042 1.083427 0.425067
C -0.408820 -1.033282 1.865823
C 3.948507 -1.380685 0.625654
C 4.378381 0.683370 -0.684959
C -2.901475 -0.643122 -0.441994
C -0.608343 1.860376 1.607250
C -1.376997 -2.489374 -0.880366
C -0.872864 1.758610 -0.811078
C 4.839556 -2.421507 -0.078376
C 4.046730 1.364156 -2.027055
C -3.952067 -1.360128 -1.057095
C -0.738953 3.268464 1.560105
C -2.424937 -3.207627 -1.496799
C -1.001333 3.162035 -0.862390
C -3.720086 -2.648733 -1.588232
C -0.937278 3.926765 0.326888
H 0.818290 -0.644930 -1.371747
H 1.227917 -1.773997 -0.057646
H 1.954639 1.191952 -0.264740
H 2.088214 0.300603 1.274223
H 4.519471 -0.891975 1.455697
H 3.096767 -1.893608 1.108140
H 4.479899 1.459500 0.116888
H 5.367692 0.197371 -0.774202
H -3.095848 0.366135 -0.060283
H -0.447511 1.372538 2.574206
H -0.385339 -2.948298 -0.818252
H -0.923912 1.177306 -1.739360
H 4.262167 -2.952193 -0.855906
H 5.713850 -1.954005 -0.568091
H 5.219984 -3.162466 0.650090
H 4.809924 2.125629 -2.276313
H 3.064936 1.871208 -1.996400
H 4.015836 0.612293 -2.835025
H -2.488174 -0.808126 2.078925
H -1.633480 -1.445627 3.482496
H -4.948468 -0.908477 -1.124725
H -0.679487 3.848083 2.488392
H -2.229191 -4.205851 -1.904716
H -1.149610 3.658783 -1.828008
H -4.532259 -3.206220 -2.067718
H -1.036534 5.017354 0.290359


