%chk=000080187.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080187

0 1
 O  -0.3331000     -0.3130000      5.2999998E-03
 O    1.955400      -1.671100      7.9999998E-04
 O   0.7610000       1.701800      3.1999999E-03
 N    1.939300     -0.2704000     -1.1000000E-03
 C   -2.713600     -0.6384000      4.8000002E-03
 C   -1.585500      0.3817000      3.8999999E-03
 C   -4.077600      2.7899999E-02 -1.1800000E-02
 C   0.7891000      0.4733000      4.8000002E-03
 C    3.265100      0.3081000     -9.9999998E-03
 H   -2.612000      -1.299700     -0.8640000    
 H   -2.624600      -1.284200      0.8866000    
 H   -1.647400       1.011300     -0.8913000    
 H   -1.648800       1.014500      0.8969000    
 H   -4.201000      0.6470000     -0.9061000    
 H   -4.869100     -0.7281000     -1.0300000E-02
 H   -4.214100      0.6642000      0.8685000    
 H    3.223600       1.400100     -5.5999998E-03
 H    3.790200     -3.2299999E-02 -0.9070000    
 H    3.804200     -3.9400000E-02  0.8759000    
 H    2.014000      -1.848100     -0.9535000    


%chk=000080187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080187

0 1
O -0.251045 -0.275257 -0.060481
O 1.923731 -1.632780 -0.164682
O 0.827746 1.843831 0.054492
N 2.012675 -0.179927 -0.077106
C -2.647139 -0.682509 -0.085281
C -1.573578 0.403401 0.002080
C -4.064602 -0.069654 -0.024805
C 0.879075 0.587281 -0.020654
C 3.383274 0.302330 -0.070626
H -2.517437 -1.246966 -1.027822
H -2.508409 -1.399426 0.745934
H -1.639204 1.121192 -0.836217
H -1.632506 0.969732 0.949878
H -4.236340 0.630961 -0.862988
H -4.833996 -0.859390 -0.083162
H -4.222512 0.485857 0.918310
H 3.349396 1.400531 -0.004928
H 3.901982 0.001835 -0.998741
H 3.930783 -0.104878 0.798261
H 0.933206 -1.790964 -0.161463


