%chk=000229971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229971

0 1
S -0.417554 1.633509 -1.231352
N -1.081557 -0.482180 0.931605
N 0.204603 -3.985636 -0.383363
C -1.511953 -1.913066 0.987926
C 0.289108 -0.219891 0.640747
C -1.803297 -2.518581 -0.394011
C -2.101052 0.473761 0.606471
C 0.719344 0.786778 -0.206563
C -0.523676 -2.917824 -1.147407
C -1.898776 1.528714 -0.300897
C 2.100747 1.125131 -0.337846
C 1.274317 -1.000950 1.346204
C 3.056579 0.350659 0.374430
C -3.338219 0.401906 1.279293
C 2.604894 -0.722724 1.209509
C -2.875758 2.492851 -0.529545
C -4.109500 2.407524 0.136672
C -4.327556 1.354858 1.038626
C 2.566039 2.201923 -1.157661
C 4.446553 0.652995 0.248267
C 1.656502 -3.980988 -0.734761
C -0.385859 -5.331933 -0.647020
C 3.909572 2.471326 -1.259162
C 4.864558 1.687736 -0.552237
C -5.163929 3.435061 -0.115038
H -2.416214 -1.976827 1.633108
H -0.716890 -2.508925 1.501486
H -2.379367 -1.802991 -1.014503
H -2.456884 -3.403595 -0.263938
H 0.135336 -2.025022 -1.245155
H -0.781633 -3.222779 -2.183687
H 0.933320 -1.821877 1.981752
H -3.521073 -0.395914 1.998506
H 3.350033 -1.313377 1.743938
H -2.690040 3.312106 -1.225445
H -5.277680 1.280214 1.565938
H 1.846651 2.820884 -1.696350
H 5.165265 0.049384 0.800417
H 2.086753 -3.003145 -0.456741
H 1.878485 -4.167433 -1.795266
H 2.174802 -4.745046 -0.134704
H -0.310141 -5.674897 -1.689192
H -1.450159 -5.321167 -0.363772
H 0.114209 -6.072648 -0.002988
H 4.264230 3.292433 -1.881094
H 5.921070 1.925747 -0.655135
H -6.106079 3.211866 0.401560
H -4.836831 4.428335 0.226398
H -5.396092 3.519013 -1.186216


%chk=000229971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229971

0 1
S -0.160947 1.343228 -1.537930
N -0.854445 -0.658715 0.644478
N -0.120670 -4.011484 -0.849078
C -1.216549 -2.006957 1.145322
C 0.504595 -0.220147 0.683998
C -2.089027 -2.786758 0.134016
C -1.892413 0.292672 0.404925
C 0.982079 0.749037 -0.218725
C -1.289013 -3.143268 -1.139494
C -1.695146 1.348979 -0.525030
C 2.331168 1.235750 -0.168787
C 1.409359 -0.733584 1.677387
C 3.236826 0.669366 0.814156
C -3.138162 0.241793 1.083197
C 2.736052 -0.315686 1.724534
C -2.673629 2.335459 -0.738164
C -3.923953 2.279208 -0.066732
C -4.136021 1.210515 0.836811
C 2.838342 2.233652 -1.068410
C 4.598296 1.113052 0.852363
C 0.956386 -3.883496 -1.853016
C -0.489588 -5.421488 -0.615337
C 4.171448 2.645968 -1.004746
C 5.064514 2.080806 -0.040184
C -4.986072 3.335785 -0.316081
H -1.712234 -1.953597 2.137078
H -0.286311 -2.587476 1.255646
H -2.980672 -2.198883 -0.153285
H -2.458763 -3.704660 0.632150
H -0.913882 -2.202718 -1.584209
H -1.975075 -3.610405 -1.890501
H 1.043763 -1.454869 2.413405
H -3.332527 -0.552915 1.809594
H 3.411669 -0.732063 2.480789
H -2.470223 3.145742 -1.448153
H -5.091625 1.136929 1.369395
H 2.159365 2.681141 -1.802125
H 5.272030 0.677474 1.600157
H 1.263897 -2.826349 -1.934442
H 0.660551 -4.240804 -2.872060
H 1.835216 -4.471297 -1.530587
H -0.921191 -5.916765 -1.523002
H -1.233596 -5.496158 0.196815
H 0.404043 -5.993419 -0.306609
H 4.537814 3.413201 -1.695936
H 6.107565 2.413244 -0.003118
H -5.915366 3.108503 0.234176
H -4.642225 4.336825 0.007162
H -5.240450 3.410931 -1.390010


