%chk=000244657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244657

0 1
S -0.424366 -0.590547 -2.380522
P -0.144721 0.063720 -0.570951
N 0.450885 -1.192601 0.508010
N -1.622575 0.641292 0.205023
N 0.955508 1.425725 -0.471933
C -0.018018 -2.613078 0.366457
C -2.858425 0.911927 -0.608758
C -0.395166 -1.789603 1.588298
C -2.080889 2.054582 0.023474
C 1.417995 1.736905 0.924430
C 2.206909 1.262928 -1.286900
C 1.061113 -3.660325 0.438724
C -4.148904 0.426549 -0.004616
C 2.811114 1.093264 1.098582
C 3.325225 0.804868 -0.325501
H -0.805086 -2.867723 -0.367906
H -2.834415 0.798012 -1.711015
H -1.430761 -1.477966 1.757546
H 0.127217 -1.935316 2.539556
H -1.532344 2.769372 -0.598672
H -2.441900 2.533881 0.939626
H 0.706444 1.416332 1.709864
H 1.486510 2.846361 0.991915
H 2.434520 2.267950 -1.709748
H 2.093440 0.583403 -2.157599
H 0.664503 -4.607865 0.822599
H 1.486397 -3.846035 -0.558486
H 1.895467 -3.356009 1.085962
H -4.987523 1.063612 -0.313375
H -4.368602 -0.601283 -0.325178
H -4.120616 0.420321 1.094007
H 2.734887 0.154001 1.677191
H 3.493052 1.756727 1.651662
H 4.268411 1.334195 -0.532081
H 3.532312 -0.272977 -0.451584


%chk=000244657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244657

0 1
S -0.529879 -0.407643 -2.634714
P -0.226419 -0.050210 -0.583305
N -0.360946 -1.458511 0.532273
N -1.401104 1.044797 0.236587
N 1.311438 0.604428 -0.208908
C 0.129779 -2.803478 0.015773
C -2.876736 0.932142 -0.121828
C -1.357396 -2.549688 0.173295
C -2.063280 2.112254 -0.618022
C 1.754783 0.881907 1.189556
C 2.290997 1.069899 -1.228808
C 0.924035 -3.641004 0.998015
C -3.851550 1.033317 1.034295
C 2.963431 1.826225 0.985261
C 3.548692 1.366951 -0.376065
H 0.484443 -2.804664 -1.026441
H -3.120431 0.193020 -0.900767
H -1.938156 -2.426665 -0.751390
H -1.895196 -2.960877 1.033997
H -1.812616 2.131914 -1.687785
H -2.151619 3.084195 -0.121487
H 2.055647 -0.056706 1.695196
H 0.937661 1.339838 1.774098
H 1.932936 1.985276 -1.741816
H 2.461748 0.298827 -1.999852
H 0.892743 -4.708137 0.709326
H 1.981533 -3.320805 1.021434
H 0.512011 -3.539853 2.016856
H -4.854583 1.325433 0.670989
H -3.940588 0.064759 1.558863
H -3.508604 1.786057 1.764585
H 3.689765 1.756196 1.813268
H 2.618271 2.874236 0.914530
H 4.194609 2.127465 -0.846968
H 4.142180 0.443702 -0.241939


