%chk=000298622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298622

0 1
N -4.329537 -1.036417 -0.334726
N -3.362326 1.582872 0.480523
N 1.233056 0.035901 0.040314
N 2.072241 -0.832596 -0.313698
C -2.988478 -0.741978 -0.244680
C -2.470630 0.567555 0.168940
C -1.063886 0.784626 0.244851
C -0.152602 -0.274540 -0.083523
C -2.037980 -1.741257 -0.560065
C -0.666288 -1.510322 -0.481570
C -0.606866 2.082640 0.651679
C -4.773777 -2.382690 -0.767247
C -5.418779 -0.081692 -0.038091
C -1.507174 3.069561 0.954586
C -2.902540 2.772372 0.854207
C 3.469697 -0.500031 -0.151472
C 3.976725 0.270799 0.909580
C 4.342012 -1.078671 -1.093524
C 5.355960 0.458224 1.024117
C 5.716646 -0.875591 -0.967744
C 6.225723 -0.110588 0.088405
H -2.358249 -2.730142 -0.876010
H 0.024047 -2.322339 -0.737283
H 0.471291 2.260173 0.711235
H -4.398781 -3.163229 -0.079606
H -4.415337 -2.610032 -1.788187
H -5.873981 -2.451187 -0.778128
H -5.355600 0.806467 -0.696643
H -5.352760 0.277987 1.007335
H -6.405642 -0.546566 -0.180296
H -1.189546 4.061941 1.264922
H -3.646687 3.541223 1.089568
H 3.295104 0.715126 1.634135
H 3.939343 -1.677865 -1.909792
H 5.753721 1.051857 1.845819
H 6.396563 -1.317008 -1.694930
H 7.299216 0.040319 0.181201


%chk=000298622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298622

0 1
N -4.351002 -0.966578 -0.471605
N -3.385837 1.605638 0.615159
N 1.246558 0.096977 0.077392
N 2.068826 -0.838847 -0.353200
C -3.004858 -0.660639 -0.299193
C -2.497037 0.610005 0.242751
C -1.064314 0.818695 0.349771
C -0.126297 -0.196263 -0.074451
C -2.024442 -1.621225 -0.706161
C -0.643957 -1.400307 -0.599195
C -0.610461 2.073912 0.870644
C -4.724972 -2.192473 -1.202632
C -5.487908 -0.308443 0.208693
C -1.528872 3.055502 1.243241
C -2.918240 2.774975 1.090686
C 3.455474 -0.535483 -0.179532
C 3.972323 0.647202 0.426453
C 4.354914 -1.524237 -0.664119
C 5.363983 0.824996 0.537275
C 5.748204 -1.338086 -0.549826
C 6.258826 -0.162983 0.050976
H -2.353607 -2.587313 -1.094260
H 0.066545 -2.172203 -0.911179
H 0.468840 2.224818 0.954019
H -4.510716 -3.114772 -0.623367
H -4.197880 -2.254820 -2.171364
H -5.807791 -2.160558 -1.402978
H -6.267478 -0.049946 -0.532981
H -5.135230 0.612860 0.690083
H -5.931152 -0.997698 0.956796
H -1.203585 4.021718 1.641013
H -3.672705 3.522494 1.363830
H 3.268519 1.398502 0.797044
H 3.932540 -2.423874 -1.124306
H 5.761229 1.734083 1.003785
H 6.434479 -2.104639 -0.926579
H 7.340981 -0.016084 0.141519


