%chk=000233648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233648

0 1
O 0.822633 -1.452294 0.630240
N -0.794994 -0.007918 -0.004377
C 3.045301 0.154011 -0.262781
C 1.573616 0.591451 -0.456347
C -1.840104 -0.911961 0.549104
C -1.257139 1.275253 -0.582771
C 0.556949 -0.381245 0.102858
C -2.501466 -1.741003 -0.565922
C -1.127502 2.429139 0.429817
C 3.392442 0.030045 1.223532
C 3.334411 -1.153328 -1.005551
C -3.600208 -2.635631 -0.001417
C -1.620964 3.742660 -0.165354
H 3.681001 0.961922 -0.708213
H 1.383179 0.736874 -1.539529
H 1.430263 1.586345 0.018698
H -2.595148 -0.311389 1.097827
H -1.361905 -1.596223 1.293344
H -2.317775 1.170705 -0.905060
H -0.681357 1.502652 -1.507048
H -2.914832 -1.077513 -1.348538
H -1.730340 -2.358885 -1.070301
H -1.696597 2.187847 1.349338
H -0.071085 2.529346 0.754328
H 2.786533 -0.759510 1.697592
H 4.442684 -0.241523 1.367023
H 3.208455 0.959421 1.767855
H 3.116061 -1.076450 -2.073467
H 2.718915 -1.972973 -0.598818
H 4.381206 -1.452303 -0.896633
H -4.395169 -2.054576 0.478813
H -4.064567 -3.235671 -0.792756
H -3.205524 -3.335821 0.745430
H -2.677604 3.688511 -0.453092
H -1.524806 4.562639 0.557048
H -1.050964 4.027998 -1.057073


%chk=000233648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233648

0 1
O 0.777862 -1.545815 0.558230
N -0.781016 0.072231 -0.003098
C 3.089775 0.044054 -0.297502
C 1.626290 0.515289 -0.521986
C -1.859549 -0.794949 0.530886
C -1.183427 1.380809 -0.560980
C 0.530277 -0.400719 0.054989
C -2.430029 -1.763427 -0.531960
C -1.311961 2.497630 0.506055
C 3.451193 -0.053961 1.204467
C 3.409811 -1.273071 -1.045678
C -3.572583 -2.630888 0.037450
C -1.811300 3.823900 -0.105577
H 3.723292 0.842361 -0.742635
H 1.452973 0.618444 -1.614331
H 1.508901 1.531652 -0.094156
H -2.664887 -0.145669 0.926485
H -1.441525 -1.381160 1.367665
H -2.159598 1.250597 -1.069301
H -0.466326 1.694639 -1.339315
H -2.794979 -1.184780 -1.404511
H -1.606017 -2.407740 -0.889714
H -2.006590 2.161884 1.300439
H -0.329191 2.648579 0.993282
H 2.862277 -0.851854 1.686619
H 4.525227 -0.287636 1.328864
H 3.250002 0.898745 1.732114
H 3.176728 -1.188678 -2.125017
H 2.817290 -2.102240 -0.625834
H 4.483823 -1.520218 -0.950702
H -4.416865 -2.007374 0.389278
H -3.963871 -3.326569 -0.726609
H -3.219828 -3.235699 0.893577
H -2.808014 3.700211 -0.570025
H -1.894791 4.611706 0.664147
H -1.119775 4.190317 -0.887816


