%chk=000248108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248108

0 1
S -2.692896 -0.025512 -0.612286
O -6.363945 0.042537 -0.452089
N -5.119576 -1.757819 -1.029388
C 2.506587 0.091323 -0.304896
C 1.237943 -0.001195 0.553423
C 3.772370 0.062749 0.562375
C -0.026998 0.027293 -0.319160
C 5.040950 0.155422 -0.295950
C -1.280300 -0.063594 0.542493
C 6.308688 0.126908 0.569530
C 7.574296 0.218947 -0.279938
C -4.135559 -0.077425 0.504251
C -4.398124 1.290282 1.096474
C -5.296954 -0.539244 -0.370327
H 2.486523 1.018875 -0.909660
H 2.531549 -0.742085 -1.033605
H 1.214899 0.834055 1.280035
H 1.260263 -0.928658 1.157716
H 3.794585 -0.864529 1.166835
H 3.749565 0.896758 1.290213
H 0.006853 -0.807870 -1.049323
H -0.038590 0.957082 -0.926060
H 5.021562 1.082338 -0.900919
H 5.066472 -0.677359 -1.024815
H -1.298713 -0.994294 1.137286
H -1.348063 0.783583 1.249551
H 6.286348 0.961327 1.297630
H 6.331345 -0.801055 1.173837
H -3.967044 -0.828206 1.314687
H 7.602614 1.146196 -0.863528
H 7.647769 -0.614963 -0.987249
H 8.473614 0.198118 0.345772
H -4.478301 2.067879 0.320530
H -5.361088 1.307529 1.633532
H -3.616297 1.598617 1.798290
H -5.834737 -2.063890 -1.674429
H -4.216509 -2.189620 -1.145942


%chk=000248108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248108

0 1
S -2.803050 0.173262 -0.788389
O -6.588973 -0.644416 0.393975
N -5.146166 -1.688697 -1.099548
C 2.566922 0.118991 -0.340867
C 1.250084 0.053235 0.466197
C 3.830001 0.077018 0.548619
C -0.006147 0.128464 -0.435418
C 5.146496 0.115761 -0.260067
C -1.308031 0.010993 0.374245
C 6.411401 0.086203 0.628197
C 7.721455 0.116911 -0.188529
C -4.218690 -0.019285 0.496174
C -4.642124 1.335830 1.082865
C -5.426355 -0.795215 -0.087269
H 2.578259 1.046980 -0.949648
H 2.597385 -0.725652 -1.060373
H 1.227563 0.885241 1.200182
H 1.229209 -0.886796 1.056049
H 3.810480 -0.841747 1.171725
H 3.809362 0.932550 1.255826
H 0.033264 -0.680234 -1.192107
H -0.002083 1.086822 -0.991552
H 5.164376 1.029471 -0.890537
H 5.172540 -0.744998 -0.960871
H -1.375905 -0.968135 0.881800
H -1.379631 0.815824 1.127238
H 6.387503 0.949500 1.324282
H 6.390012 -0.824106 1.261795
H -3.790052 -0.661872 1.290843
H 7.780746 1.031952 -0.807831
H 7.783695 -0.752624 -0.870004
H 8.610328 0.095507 0.468571
H -5.003144 2.009932 0.287990
H -5.464401 1.188543 1.804447
H -3.792682 1.822238 1.593515
H -5.908891 -2.245763 -1.483019
H -4.203657 -1.741188 -1.493612


