%chk=000299180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299180

0 1
S -1.574137 0.000176 1.919851
O -1.103032 0.001271 -0.701844
N -3.288154 0.000702 -0.170157
C 0.913550 1.243257 -0.209562
C 0.912777 -1.242515 -0.210761
C 0.271839 0.000624 -0.320725
C 2.302935 1.225232 0.034645
C 2.302174 -1.225587 0.033470
C 2.973189 -0.000442 0.148927
C 0.146610 2.516583 -0.328393
C 0.145057 -2.515259 -0.330814
C 3.065699 2.502805 0.180293
C 3.064145 -2.503773 0.177892
C -2.022300 0.000802 0.320055
C -3.579677 0.001080 -1.622243
C -4.466684 0.000732 0.725010
H 4.045326 -0.000865 0.341303
H -0.026480 2.953566 0.668372
H 0.675430 3.262264 -0.935211
H -0.840135 2.362228 -0.787211
H -0.841545 -2.359898 -0.789594
H 0.673481 -3.260726 -0.938240
H -0.028397 -2.953031 0.665544
H 2.643499 3.124694 0.983793
H 4.123151 2.338592 0.423026
H 3.032618 3.094610 -0.745324
H 3.030710 -3.094663 -0.748296
H 4.121696 -2.340447 0.420795
H 2.641555 -3.126175 0.980789
H -4.161283 -0.893925 -1.901461
H -2.645662 -0.002572 -2.218258
H -4.154837 0.899978 -1.902360
H -4.170733 0.004143 1.795536
H -5.079333 -0.900466 0.553617
H -5.082953 0.898505 0.548838


%chk=000299180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299180

0 1
S -1.694664 0.000380 2.042634
O -1.121168 0.001098 -0.647332
N -3.348406 0.000699 -0.168548
C 0.930271 1.252282 -0.211688
C 0.929601 -1.251616 -0.213006
C 0.280177 0.000565 -0.316721
C 2.335435 1.240879 0.022410
C 2.334769 -1.241227 0.021091
C 3.004987 -0.000413 0.134015
C 0.157627 2.552314 -0.310981
C 0.156258 -2.551130 -0.313652
C 3.107877 2.540724 0.162426
C 3.106511 -2.541643 0.159689
C -2.085508 0.000374 0.377609
C -3.609030 0.000726 -1.622210
C -4.545100 0.001255 0.686501
H 4.086591 -0.000797 0.318624
H 0.000150 2.990965 0.693549
H 0.701449 3.300113 -0.916022
H -0.834912 2.396036 -0.762054
H -0.836160 -2.393897 -0.764659
H 0.699722 -3.298627 -0.919383
H -0.001558 -2.990684 0.690431
H 2.693281 3.176049 0.968094
H 4.168798 2.347560 0.395946
H 3.072269 3.141668 -0.767320
H 3.070532 -3.141564 -0.770702
H 4.167548 -2.349314 0.393371
H 2.691606 -3.177606 0.964695
H -4.198096 -0.894789 -1.899197
H -2.662332 -0.003380 -2.175528
H -4.191076 0.900342 -1.900867
H -4.232732 0.004619 1.741771
H -5.156016 -0.899900 0.486790
H -5.158601 0.899440 0.481525


