%chk=000246839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246839

0 1
O -3.907296 -1.877937 -0.000286
N -5.208848 -0.039053 -0.152726
C -5.471815 1.422841 -0.086222
C -6.469935 -0.833270 -0.083303
C -7.004255 1.570992 -0.004845
C -7.568627 0.170646 0.302680
C -0.216613 0.330017 -0.047712
C 1.071814 -0.503660 -0.018715
C -1.457033 -0.569986 -0.043153
C 2.319263 0.389993 -0.023059
C -2.750692 0.254158 -0.072827
C -3.961995 -0.657269 -0.057673
C 3.606328 -0.445470 0.006498
C 4.854956 0.446766 0.002004
C 6.141676 -0.389203 0.031668
C 7.390399 0.502559 0.027343
C 8.678157 -0.332777 0.056894
C 9.924587 0.549609 0.052908
H -4.976168 1.868869 0.801545
H -5.062057 1.921080 -0.989548
H -6.660169 -1.298829 -1.073933
H -6.362965 -1.660877 0.650435
H -7.295987 2.298601 0.770196
H -7.408688 1.949481 -0.960504
H -8.500072 -0.019094 -0.255770
H -7.821366 0.079897 1.374254
H -0.240230 1.013499 0.822696
H -0.222365 0.979705 -0.943966
H 1.095971 -1.189262 -0.888110
H 1.078001 -1.155708 0.876414
H -1.439365 -1.263478 -0.908850
H -1.457888 -1.229676 0.848864
H 2.313790 1.040102 -0.919043
H 2.295471 1.074356 0.846718
H -2.782575 0.940781 0.796961
H -2.769336 0.897039 -0.976014
H 3.611979 -1.096338 0.902133
H 3.630194 -1.130686 -0.862839
H 4.831444 1.131535 0.871510
H 4.849734 1.097014 -0.893912
H 6.165251 -1.074145 -0.837798
H 6.146864 -1.039845 0.927381
H 7.368366 1.187743 0.896373
H 7.386676 1.153534 -0.867869
H 8.702421 -1.017454 -0.813408
H 8.683972 -0.983426 0.953226
H 9.951003 1.214558 0.923600
H 9.969511 1.180422 -0.842089
H 10.837911 -0.055253 0.074173


%chk=000246839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246839

0 1
O -4.026585 -1.953447 -0.279496
N -5.297622 -0.034723 -0.051292
C -5.511438 1.426592 0.101386
C -6.576773 -0.794755 -0.070132
C -7.030222 1.594619 -0.148640
C -7.627091 0.255855 0.360392
C -0.264733 0.276324 -0.054098
C 1.050961 -0.533336 -0.012938
C -1.523674 -0.618116 -0.049885
C 2.316310 0.353429 -0.019678
C -2.827563 0.200470 -0.096784
C -4.081495 -0.686715 -0.149290
C 3.632414 -0.455960 0.012154
C 4.897545 0.431448 0.005418
C 6.214436 -0.377089 0.032301
C 7.479158 0.511002 0.024812
C 8.796578 -0.297563 0.051541
C 10.054167 0.598454 0.042861
H -5.238165 1.762748 1.123582
H -4.900398 2.001066 -0.618142
H -6.771266 -1.185576 -1.088028
H -6.509798 -1.664042 0.605920
H -7.442908 2.478152 0.367016
H -7.222644 1.706846 -1.231595
H -8.624631 0.044956 -0.059926
H -7.716765 0.274867 1.462318
H -0.293685 0.967781 0.814953
H -0.268057 0.917600 -0.961337
H 1.081475 -1.223362 -0.881801
H 1.057178 -1.175710 0.892290
H -1.502409 -1.311593 -0.911087
H -1.528708 -1.260594 0.851410
H 2.306294 0.999362 -0.922901
H 2.287939 1.039991 0.852663
H -2.886992 0.876042 0.781834
H -2.820077 0.864050 -0.988041
H 3.642968 -1.102740 0.914483
H 3.661162 -1.141650 -0.860549
H 4.870138 1.115261 0.879815
H 4.884946 1.080206 -0.895635
H 6.241870 -1.060913 -0.842021
H 6.227581 -1.025785 0.933332
H 7.453190 1.194953 0.899169
H 7.467333 1.159736 -0.876285
H 8.821330 -0.981218 -0.821697
H 8.807518 -0.944857 0.952360
H 10.066447 1.271313 0.921252
H 10.082066 1.232149 -0.863846
H 10.982096 -0.002430 0.064161


