%chk=000293343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293343

0 1
S -2.465496 -0.686398 -0.017822
O 2.065089 3.584198 2.295485
O -0.106446 3.692120 0.201611
O 6.109061 -2.616116 0.051503
N 0.184956 -0.341000 -0.009313
N -1.150307 1.651102 0.067987
C 1.382540 0.420154 0.005853
C 1.325556 1.781197 0.045436
C 2.544141 2.648657 0.047722
C 2.622003 -0.383262 -0.028189
C 0.016414 2.488300 0.113965
C -1.035932 0.350441 0.020468
C 3.044437 2.949852 1.467019
C 3.240702 -0.758271 1.182047
C 3.185101 -0.758432 -1.254373
C -3.840908 0.509181 0.080417
C 4.407317 -1.507233 1.166206
C 4.360104 -1.512456 -1.293580
C 4.960375 -1.879832 -0.080920
C -5.059680 -0.348660 0.066821
C -5.603718 -0.820558 1.272622
C -5.671269 -0.686647 -1.151494
C -6.748990 -1.620480 1.256589
C -6.816379 -1.486956 -1.160026
C -7.356797 -1.954925 0.042113
C 6.784891 -3.053574 -1.154349
H 3.362072 2.181787 -0.539098
H 2.309798 3.606664 -0.472987
H 0.236188 -1.359456 -0.021733
H 3.925475 3.619556 1.438873
H 3.297623 2.029520 2.025874
H 2.796959 -0.453633 2.133252
H 2.705641 -0.458018 -2.188176
H -3.790820 1.227142 -0.766012
H -3.745906 1.134216 0.994407
H 4.907429 -1.811139 2.084656
H 4.788847 -1.797677 -2.248799
H -5.134580 -0.563288 2.221736
H -5.254922 -0.325028 -2.090936
H 1.407262 4.084504 1.751691
H -7.169238 -1.983379 2.193639
H -7.289234 -1.745766 -2.106401
H -8.249733 -2.577422 0.032660
H 7.644947 -3.598044 -0.740478
H 7.113705 -2.190625 -1.740335
H 6.139224 -3.721817 -1.730930


%chk=000293343-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293343

0 1
S -2.153770 -0.679200 -2.260844
O 0.870802 3.587913 2.980476
O -0.859690 3.054110 0.946877
O 6.168318 -2.562263 0.032932
N 0.206096 -0.350783 -0.959420
N -1.371767 1.384238 -0.595915
C 1.223133 0.309099 -0.236309
C 0.929312 1.539269 0.346959
C 1.960136 2.404947 1.042709
C 2.519141 -0.416701 -0.191799
C -0.464092 2.044376 0.270953
C -1.031056 0.242743 -1.152717
C 1.793574 2.536002 2.592483
C 3.218593 -0.607651 1.034622
C 3.069235 -0.978067 -1.373993
C -3.782243 0.311224 -1.950818
C 4.424199 -1.323200 1.072710
C 4.283026 -1.697024 -1.351599
C 4.965181 -1.871026 -0.120326
C -4.577065 -0.192562 -0.774550
C -4.445200 0.435740 0.492563
C -5.481717 -1.277791 -0.916980
C -5.201960 -0.019432 1.595185
C -6.236942 -1.732020 0.185718
C -6.097857 -1.103712 1.446297
C 6.781292 -3.149751 -1.164299
H 2.971204 2.025427 0.815429
H 1.894654 3.433782 0.636871
H 0.382848 -1.298558 -1.302852
H 2.768508 2.812893 3.033769
H 1.488496 1.551923 3.019085
H 2.797063 -0.212522 1.964464
H 2.568878 -0.817392 -2.336869
H -4.306248 0.200042 -2.913606
H -3.434076 1.346835 -1.814071
H 4.962369 -1.480422 2.011886
H 4.686299 -2.099807 -2.285030
H -3.748144 1.273741 0.603017
H -5.593733 -1.765626 -1.893647
H 0.093708 3.555625 2.339073
H -5.094794 0.474895 2.567073
H -6.934848 -2.568118 0.063932
H -6.685769 -1.453855 2.302285
H 7.700477 -3.633700 -0.804860
H 7.035474 -2.369683 -1.907280
H 6.116458 -3.905458 -1.624883


