%chk=000125257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125257

0 1
 O   0.8159000      0.8823000     -1.4300000E-02
 O   0.2606000      -1.656400      -1.077600    
 O   -2.110200      -2.891800     -0.1035000    
 O   -3.306600       1.103600      -1.146800    
 O    2.062500      -1.836700      0.4451000    
 O    1.717700      0.6587000      -2.194700    
 O    3.533300       1.924700     -0.4826000    
 N   -1.405700       2.700100      0.3159000    
 N   -4.447600      -1.187600      8.3099999E-02
 C  -0.5171000      0.5028000     -0.3754000    
 C  -0.6451000      -1.006800     -0.1772000    
 C   -1.527300       1.251400      0.5077000    
 C   -2.067700      -1.505500     -0.4513000    
 C   -3.089700     -0.7331000      0.4031000    
 C   -2.966200      0.7897000      0.2065000    
 C    1.804900      0.2347000     -0.8297000    
 C    1.626000      -1.300900     -0.8084000    
 C    3.144900      0.6197000     -0.2598000    
 C    3.471900      -1.675000      0.6518000    
 C    3.915400     -0.2605000      0.3978000    
 C   -2.368000       3.407600       1.143600    
 C   -5.420800     -0.5281000      0.9369000    
 C    3.760800      -2.090600       2.089000    
 C    3.757900       2.597500      0.7409000    
 H  -0.6753000      0.7660000      -1.430200    
 H  -0.3582000      -1.291200      0.8447000    
 H   -1.288400       1.029700       1.557700    
 H   -2.301800      -1.431800      -1.520700    
 H   -2.890400     -0.9750000       1.457300    
 H   -3.671000       1.296800      0.8691000    
 H    2.213600      -1.769700      -1.608500    
 H  -0.4610000       2.986800      0.5723000    
 H   -4.499500      -2.195600      0.2306000    
 H   -1.440900      -3.347300     -0.6425000    
 H   -3.172900       2.058800      -1.268000    
 H    4.005600      -2.350600     -2.7400000E-02
 H    4.904200      2.4900001E-02  0.7448000    
 H   -2.382400       3.047600       2.177900    
 H   -3.378200       3.387900      0.7243000    
 H   -2.084700       4.465600       1.179400    
 H    2.266200       1.453100      -2.308400    
 H   -6.377200      -1.055600      0.8495000    
 H   -5.620000      0.5011000      0.6246000    
 H   -5.139200     -0.5505000       1.995000    
 H    3.428600      -3.120300       2.261800    
 H    4.829100      -2.027900       2.320200    
 H    3.212500      -1.461300       2.800000    
 H    3.842500       3.667200      0.5247000    
 H    4.698300       2.283700       1.205800    
 H    2.923100       2.466800       1.439600    


%chk=000125257-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125257

0 1
O 0.691272 0.976274 0.160289
O 0.254994 -1.635495 -0.999349
O -2.238184 -2.958832 -0.313249
O -3.424300 1.216979 -1.069993
O 1.994078 -1.776365 0.564469
O 1.661023 0.818000 -2.040318
O 3.347675 2.081938 -0.329950
N -1.623205 2.672223 0.386990
N -4.521949 -1.358739 -0.101908
C -0.665104 0.510347 -0.244146
C -0.748492 -1.002816 -0.093555
C -1.693378 1.213477 0.650759
C -2.123151 -1.507992 -0.529207
C -3.219208 -0.840320 0.326502
C -3.123102 0.705214 0.265581
C 1.738457 0.352080 -0.666465
C 1.592855 -1.203686 -0.726594
C 3.068316 0.737326 -0.039477
C 3.427637 -1.577877 0.868203
C 3.857398 -0.139745 0.630323
C -2.234746 3.533731 1.422967
C -5.695167 -0.909681 0.656197
C 3.619849 -2.027330 2.323212
C 4.622744 2.619268 0.149952
H -0.829757 0.785405 -1.303826
H -0.524168 -1.315375 0.944077
H -1.481560 0.960972 1.716524
H -2.293170 -1.260669 -1.596105
H -2.996150 -1.102941 1.400842
H -3.846548 1.122326 1.000874
H 2.215373 -1.593943 -1.554798
H -0.647949 2.940736 0.194285
H -4.467941 -2.377109 -0.223169
H -1.488989 -3.392933 -0.795679
H -2.958620 2.110804 -1.075575
H 4.013721 -2.248262 0.195446
H 4.835342 0.150779 1.029533
H -1.815344 3.366750 2.441596
H -3.323392 3.355803 1.471119
H -2.084448 4.592856 1.151451
H 2.004410 1.751145 -2.049289
H -6.576027 -1.493842 0.336664
H -5.911168 0.152267 0.437230
H -5.596213 -1.018643 1.766962
H 3.264063 -3.064667 2.442873
H 4.687676 -1.986104 2.604650
H 3.044368 -1.375876 3.002209
H 4.637529 3.671451 -0.168639
H 5.474723 2.073630 -0.300142
H 4.680327 2.556460 1.253358


