%chk=000100139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100139

0 1
 O    1.509900       2.176700      0.7662000    
 N  -0.6005000     -0.1206000      0.1078000    
 C   0.6308000     -5.2900001E-02  0.8945000    
 C    1.384400      -1.383800      0.8984000    
 C   -1.490300      -1.164800      0.6348000    
 C   -1.270200       1.187400      8.7600000E-02
 C   -2.762000      -1.282300     -0.2066000    
 C   -2.534700       1.146900     -0.7721000    
 C    2.003500      -1.725800     -0.4567000    
 C   -3.488700      5.4400001E-02 -0.3032000    
 C    1.483500       1.043900      0.2836000    
 C    2.930200     -0.6067000     -0.9229000    
 C    2.204200      0.7277000      -1.011500    
 H   0.4169000      0.2255000       1.935500    
 H   0.8041000      -2.226300       1.282000    
 H    2.213300      -1.285200       1.615100    
 H   -1.754700     -0.9672000       1.681900    
 H   -1.033800      -2.156400      0.5873000    
 H  -0.6480000       1.965700     -0.3644000    
 H   -1.526200       1.514700       1.104000    
 H   -3.429000      -2.033400      0.2316000    
 H   -2.505400      -1.631700      -1.215000    
 H   -2.261800      0.9684000      -1.820100    
 H   -3.040300       2.118500     -0.7344000    
 H    1.217900      -1.900400      -1.201100    
 H    2.575400      -2.656800     -0.3709000    
 H   -4.336200     -2.6699999E-02 -0.9925000    
 H   -3.896200      0.3213000      0.6797000    
 H    3.353900     -0.8609000      -1.900900    
 H    3.770400     -0.5193000     -0.2226000    
 H    1.467100      0.7173000      -1.821700    
 H    2.924200       1.525900      -1.221000    


%chk=000100139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100139

0 1
O 2.020646 2.047821 1.032578
N -0.585999 -0.100922 0.163384
C 0.658484 0.005645 0.985886
C 1.482936 -1.317673 1.024780
C -1.495757 -1.192210 0.605785
C -1.306268 1.205523 0.133624
C -2.721927 -1.307458 -0.325117
C -2.518937 1.161712 -0.814725
C 1.947504 -1.743275 -0.387252
C -3.489269 0.030304 -0.408731
C 1.605721 1.059262 0.370404
C 2.815403 -0.640495 -1.038525
C 2.080288 0.737282 -1.039617
H 0.431123 0.328491 2.032398
H 0.904405 -2.120934 1.516257
H 2.368210 -1.138681 1.668356
H -1.844806 -1.019611 1.658575
H -0.945082 -2.148355 0.594294
H -0.601345 1.991210 -0.195364
H -1.648243 1.491227 1.162944
H -3.382238 -2.116071 0.043612
H -2.372634 -1.596114 -1.335862
H -2.160120 0.989212 -1.848288
H -3.030784 2.142907 -0.797886
H 1.061139 -1.934930 -1.021256
H 2.523173 -2.686778 -0.324538
H -4.326016 -0.045619 -1.128493
H -3.932997 0.263631 0.581468
H 3.076048 -0.914679 -2.078079
H 3.767785 -0.539144 -0.480412
H 1.192977 0.656347 -1.696091
H 2.738280 1.545473 -1.401708


