%chk=000247235.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247235

0 1
S -1.548667 0.322143 -2.366465
P -1.811878 0.061949 -0.487575
O -0.716026 0.851181 0.508785
O 4.681018 0.024079 -0.260453
N -3.326522 0.684959 0.139033
N -1.712726 -1.594959 0.074787
C -3.749248 2.086927 -0.161470
C -3.351760 1.694094 1.245289
C -2.941915 -2.378030 0.415166
C -2.132743 -2.718453 -0.817708
C 0.629961 0.540867 0.261479
C 1.213974 -0.530866 0.941915
C 1.364605 1.406964 -0.568729
C 2.587503 -0.751059 0.798715
C 2.728015 1.189740 -0.711801
C 3.325983 0.109414 -0.023703
C 5.410220 -1.057412 0.367104
H -4.808569 2.190849 -0.429799
H -3.132975 2.771864 -0.754109
H -2.428880 2.079480 1.695712
H -4.118035 1.514438 2.008388
H -3.947506 -1.950857 0.328796
H -2.852823 -2.988044 1.322122
H -1.449712 -3.577312 -0.813944
H -2.534070 -2.550209 -1.824470
H 0.604196 -1.184960 1.567544
H 0.866184 2.226491 -1.087375
H 3.054932 -1.579607 1.320273
H 3.343564 1.826781 -1.344467
H 5.364904 -0.965557 1.455874
H 6.430004 -0.881190 -0.000120
H 5.031692 -2.023406 0.020904


%chk=000247235-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247235

0 1
S -2.032350 0.195980 -2.562909
P -2.144612 0.138136 -0.495514
O -0.803796 0.918890 0.386425
O 4.651730 -0.198289 -0.479051
N -3.539626 0.919287 0.218941
N -2.211765 -1.458779 0.322403
C -3.644400 2.418258 0.325949
C -3.507899 1.569128 1.583834
C -3.026154 -2.545023 -0.372132
C -1.515049 -2.616336 -0.383258
C 0.555242 0.579814 0.145136
C 1.204789 -0.304392 1.030302
C 1.260395 1.178435 -0.926939
C 2.578907 -0.589673 0.860958
C 2.625879 0.891656 -1.101974
C 3.289138 0.010135 -0.210110
C 5.385358 -1.102104 0.408498
H -4.619162 2.821492 0.037144
H -2.775618 3.017524 0.029658
H -2.548120 1.595437 2.109390
H -4.389305 1.350820 2.194023
H -3.521574 -2.281986 -1.315275
H -3.605236 -3.160689 0.321611
H -0.987884 -3.287935 0.299803
H -1.013083 -2.402499 -1.336061
H 0.634270 -0.754528 1.849220
H 0.735375 1.851098 -1.611249
H 3.074630 -1.268787 1.560692
H 3.198348 1.336696 -1.921092
H 5.385915 -0.730996 1.452191
H 6.414154 -1.114185 0.019783
H 4.964202 -2.126285 0.379301


