%chk=000058511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058511

0 1
 O   -2.305400      0.7888000      -1.064000    
 N  -0.2985000     -0.4082000     -0.5202000    
 N   -2.418700     -0.4936000      0.8703000    
 C   0.5948000     -0.8329000      0.5550000    
 C    1.069300      0.3268000       1.439500    
 C    1.747500      -1.706900      4.3099999E-02
 C    1.600300       1.584200      0.7527000    
 C    2.737300      -1.065000     -0.9240000    
 C    2.567400       1.419500     -0.4161000    
 C    3.446800      0.1762000     -0.3875000    
 C   -1.482000      0.2328000      2.5300000E-02
 C   -3.665800     -0.3780000      0.3652000    
 C   -3.593100      0.3563000     -0.7394000    
 H   3.0300001E-02  -1.507500       1.214900    
 H    1.855800     -5.2299999E-02   2.107000    
 H   0.2649000      0.6288000       2.123200    
 H    1.326200      -2.595500     -0.4466000    
 H    2.307500      -2.089100      0.9073000    
 H    2.105000       2.179500       1.526000    
 H   0.7665000       2.212800      0.4185000    
 H    2.238400     -0.8348000      -1.873100    
 H    3.501600      -1.816500      -1.160900    
 H    3.213200       2.306800     -0.4417000    
 H    2.002000       1.445000      -1.356200    
 H    4.307300      0.3663000      -1.042000    
 H    3.854600     -6.9999998E-04  0.6140000    
 H  -0.5811000      -1.215000      -1.075000    
 H   -1.194800       1.133700      0.5758000    
 H   -2.206000     -0.9359000       1.752700    
 H   -4.517800     -0.8282000      0.8447000    
 H   -4.367900      0.6672000      -1.415300    


%chk=000058511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058511

0 1
O -1.973625 0.888620 0.900768
N -0.304357 -0.848769 0.174215
N -2.622319 -0.946740 -0.442382
C 0.817503 -0.774856 1.138157
C 1.266448 0.677483 1.493400
C 1.998886 -1.676675 0.690376
C 1.400605 1.680650 0.317866
C 2.689432 -1.322183 -0.648983
C 2.135754 1.193834 -0.966802
C 3.239023 0.122921 -0.768791
C -1.633877 -0.620145 0.600536
C -3.518484 0.146980 -0.640986
C -3.110009 1.208255 0.107999
H 0.429645 -1.224125 2.077805
H 2.229530 0.602220 2.037906
H 0.533008 1.108349 2.201837
H 1.630368 -2.719934 0.630176
H 2.758377 -1.648226 1.498263
H 1.926627 2.571838 0.715015
H 0.385484 2.021336 0.039191
H 1.988938 -1.502969 -1.491467
H 3.522573 -2.039510 -0.792499
H 2.574551 2.080829 -1.465368
H 1.399551 0.787145 -1.692979
H 3.922173 0.157884 -1.641269
H 3.856693 0.368318 0.119404
H -0.111667 -0.528285 -0.779625
H -1.793243 -1.116135 1.582252
H -2.946813 -1.911545 -0.503777
H -4.322693 0.092407 -1.370687
H -3.462482 2.235631 0.153648


