%chk=000226234.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226234

0 1
 O    2.831900       1.268000     -0.2672000    
 N    3.930200     -0.5292000      0.7096000    
 C   -2.308600     -0.3134000      6.8999998E-02
 C  -0.9890000     -0.6512000      0.7605000    
 C   -3.480800      -1.020000      0.7633000    
 C   -2.529100       1.204900      3.4400001E-02
 C   0.2734000     -6.1600000E-02  9.2900001E-02
 C   -4.818000     -0.6556000      0.1225000    
 C   -3.868000       1.565700     -0.6050000    
 C   -5.029700      0.8546000      8.2099997E-02
 C   0.4526000     -0.4931000      -1.379500    
 C    1.534300     -0.4089000      0.9105000    
 C   0.6434000      -1.992700      -1.559000    
 C    2.811500      0.2183000      0.3697000    
 C    5.272600     -0.1429000      0.3413000    
 C    5.273600       1.157200     -0.4451000    
 H   -2.281100     -0.6846000     -0.9627000    
 H  -0.8870000      -1.741100      0.8351000    
 H   -1.029500     -0.2906000       1.797600    
 H   -3.343600      -2.107000      0.7173000    
 H   -3.504800     -0.7475000       1.826300    
 H   -2.491300       1.614300       1.051800    
 H   -1.743500       1.703000     -0.5427000    
 H   0.1910000       1.032000      9.8899998E-02
 H   -4.855200      -1.057100     -0.8977000    
 H   -5.634500      -1.127200      0.6810000    
 H   -4.019500       2.650000     -0.5563000    
 H   -3.850300       1.293000      -1.667500    
 H   -5.136600       1.235500       1.105300    
 H   -5.964200       1.082300     -0.4429000    
 H  -0.4122000     -0.1716000      -1.970100    
 H    1.307200      2.1199999E-02  -1.832000    
 H    1.415800     -3.1399999E-02   1.934600    
 H    1.651000      -1.495300      0.9938000    
 H    1.557700      -2.351800      -1.079300    
 H   0.7283000      -2.224800      -2.626300    
 H  -0.2053000      -2.562500      -1.171100    
 H    3.819100      -1.382200       1.249300    
 H    5.854100     -4.2399999E-02   1.262700    
 H    5.702400     -0.9574000     -0.2496000    
 H    4.763900       1.075200      -1.410700    
 H    4.919700       2.012800      0.1393000    
 H    6.315700       1.396000     -0.6943000    


%chk=000226234-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226234

0 1
O 2.670798 1.783558 -0.301379
N 3.898192 -0.153932 0.103129
C -2.368229 -0.299241 0.110346
C -0.987306 -0.397510 0.807754
C -3.486028 -0.824722 1.050261
C -2.703111 1.141758 -0.356870
C 0.239864 0.043818 -0.034827
C -4.886636 -0.744148 0.398863
C -4.103211 1.230205 -1.010740
C -5.205645 0.696779 -0.065787
C 0.365943 -0.699484 -1.396002
C 1.532253 -0.083995 0.819494
C 0.465635 -2.240211 -1.311310
C 2.733834 0.600766 0.158889
C 5.165082 0.369293 -0.436166
C 6.232819 0.589545 0.656490
H -2.359105 -0.952943 -0.790021
H -0.840481 -1.443554 1.152530
H -1.017482 0.224982 1.728450
H -3.263457 -1.869204 1.349282
H -3.482625 -0.219312 1.982334
H -2.665820 1.818912 0.523497
H -1.936852 1.505003 -1.068549
H 0.142502 1.123480 -0.265783
H -4.921816 -1.424418 -0.477806
H -5.658803 -1.098414 1.109781
H -4.320195 2.276664 -1.301623
H -4.106816 0.631475 -1.945856
H -5.274953 1.358744 0.822732
H -6.192163 0.729440 -0.568334
H -0.506213 -0.433259 -2.025036
H 1.252401 -0.302427 -1.928905
H 1.361187 0.424082 1.789798
H 1.749177 -1.146855 1.046684
H 1.345441 -2.567328 -0.725741
H 0.563568 -2.678594 -2.321553
H -0.432545 -2.682395 -0.842515
H 3.888599 -1.094750 0.500819
H 5.546931 -0.322785 -1.211987
H 4.913621 1.325242 -0.926793
H 5.873977 1.315977 1.406103
H 6.482252 -0.353628 1.178118
H 7.163016 0.984283 0.208030


