%chk=000246173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246173

0 1
S 2.277763 2.442183 0.176428
S -2.279215 2.439156 -0.180363
O 2.396867 0.737097 0.185382
O -2.394899 0.733783 -0.189549
O 4.404536 -2.066453 0.314611
O -4.401000 -2.071806 -0.304027
O 3.606794 2.923007 0.435345
O 1.220657 2.717678 1.122672
O -3.609266 2.917103 -0.439472
O -1.222396 2.716534 -1.126332
N 2.176194 -1.846486 0.806294
N -2.175175 -1.850704 -0.806544
C 0.673571 -3.457889 -0.368884
C -0.669798 -3.458637 0.370004
C 1.865942 -3.280502 0.582281
C -1.862530 -3.283976 -0.581234
C 3.448024 -1.351036 0.561256
C -3.446257 -1.355954 -0.556249
C 3.601430 0.167262 0.708897
C -3.601828 0.161960 -0.705406
C 1.782929 2.699050 -1.440627
C -1.785291 2.697837 1.436692
H 0.689306 -2.672079 -1.150693
H 0.792543 -4.411156 -0.923552
H -0.686783 -2.672139 1.151103
H -0.787221 -4.411600 0.925523
H 2.772987 -3.789134 0.169068
H 1.667684 -3.754876 1.570331
H -1.663602 -3.758909 -1.568860
H -2.768710 -3.793640 -0.167376
H 1.387331 -1.208072 0.899003
H -1.387316 -1.211730 -0.903860
H 4.476119 0.525358 0.126873
H 3.730557 0.451229 1.771623
H -4.473789 0.520096 -0.119376
H -3.736950 0.444199 -1.767876
H 0.675789 2.867261 -1.552758
H 2.245382 3.570026 -1.930799
H 1.973337 1.847387 -2.116392
H -0.677909 2.864243 1.549394
H -2.246291 3.570727 1.924851
H -1.978017 1.847902 2.113897


%chk=000246173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246173

0 1
S 2.338787 2.475360 0.538215
S -2.342624 2.472993 -0.539289
O 2.440678 0.645516 0.025890
O -2.440084 0.642610 -0.028079
O 3.686130 -2.562772 1.197041
O -3.680549 -2.568101 -1.197753
O 3.791395 2.924243 1.091333
O 1.037357 2.689451 1.484161
O -3.796404 2.919157 -1.091523
O -1.041974 2.690527 -1.485546
N 2.144542 -1.900593 -0.442804
N -2.142171 -1.902675 0.443760
C 0.229626 -3.478872 -0.736959
C -0.225658 -3.478857 0.739011
C 1.749393 -3.242970 -0.903750
C -1.745593 -3.244145 0.906046
C 3.049357 -1.672266 0.558973
C -3.045876 -1.676278 -0.559471
C 3.268808 -0.182934 0.916729
C -3.266618 -0.187433 -0.918761
C 2.005164 3.151123 -1.202698
C -2.009911 3.147765 1.202256
H -0.320649 -2.694264 -1.294597
H -0.033292 -4.441032 -1.217241
H 0.324014 -2.693608 1.296330
H 0.038075 -4.440673 1.219567
H 2.035625 -3.365997 -1.966250
H 2.332531 -3.969125 -0.311017
H -2.328256 -3.971510 0.314340
H -2.031245 -3.366231 1.968806
H 1.706787 -1.067320 -0.852897
H -1.705949 -1.068499 0.853653
H 4.340538 0.058583 0.803269
H 2.981181 -0.051614 1.977245
H -4.338725 0.053002 -0.806438
H -2.978207 -0.056796 -1.979152
H 0.980174 2.832771 -1.453875
H 2.094252 4.243365 -1.113121
H 2.781949 2.713515 -1.842258
H -0.984447 2.830614 1.452998
H -2.100627 4.239956 1.113769
H -2.786007 2.708313 1.841385


