%chk=000182611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182611

0 1
S -1.033634 -0.426413 -1.405460
O -1.216120 1.140435 2.650154
O -4.409774 1.246201 -1.195300
O -5.563188 0.183636 0.400574
O 2.358380 2.652601 -0.617601
O 0.431724 -1.178970 1.144593
N -2.215658 1.025540 0.457435
N 1.084439 0.911727 0.290832
C -1.268547 1.224092 -0.681301
C -0.167699 1.639027 0.343870
C -3.129734 -0.115775 0.342337
C -2.556062 -1.197211 -0.632502
C -1.181775 1.201782 1.466632
C -3.485138 -1.543393 -1.777493
C -2.098786 -2.424892 0.125119
C -4.492003 0.423261 -0.101755
C 2.283294 1.503944 -0.275247
C 1.260027 -0.490832 0.614750
C 3.283729 0.389421 -0.293972
C 2.677442 -0.790798 0.220644
C 4.594583 0.392816 -0.720350
C 3.379803 -1.973155 0.309833
C 5.317799 -0.820737 -0.631042
C 4.725595 -1.973798 -0.129635
H -1.585057 1.975469 -1.426077
H 0.034577 2.740789 0.353651
H -3.290935 -0.566749 1.368389
H -3.741743 -0.666485 -2.394444
H -3.036129 -2.277755 -2.461987
H -4.426186 -1.987180 -1.422317
H -1.578039 -3.144182 -0.522082
H -1.390629 -2.183050 0.938784
H -2.942164 -2.962964 0.578534
H -5.295164 1.634772 -1.441403
H 5.063329 1.295977 -1.114193
H 2.919810 -2.880092 0.704948
H 6.357188 -0.840846 -0.964082
H 5.299544 -2.900416 -0.068936


%chk=000182611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182611

0 1
S -1.369312 -0.495479 -1.770645
O -1.078854 0.737733 2.611987
O -4.283165 1.720094 -1.057866
O -5.722931 0.337825 0.132294
O 2.340375 2.604484 -0.717466
O 0.655053 -1.453601 0.993874
N -2.158371 0.841501 0.429388
N 1.163943 0.717630 0.135516
C -1.297606 1.096672 -0.745733
C -0.108600 1.388281 0.258650
C -3.294324 -0.055436 0.280975
C -2.853277 -1.233616 -0.711172
C -1.112519 0.917114 1.386705
C -3.960596 -1.662139 -1.692999
C -2.326829 -2.427212 0.111054
C -4.560775 0.661199 -0.188444
C 2.329350 1.406411 -0.346521
C 1.466670 -0.631234 0.513165
C 3.438884 0.409584 -0.289500
C 2.925205 -0.805066 0.225482
C 4.789311 0.542424 -0.646423
C 3.745207 -1.929211 0.402598
C 5.626734 -0.589806 -0.473346
C 5.112653 -1.806508 0.043570
H -1.608152 1.937811 -1.379409
H 0.100024 2.472726 0.306177
H -3.532826 -0.503129 1.261269
H -4.282302 -0.827223 -2.338163
H -3.592481 -2.472450 -2.345735
H -4.838103 -2.043446 -1.137849
H -1.891411 -3.190867 -0.556891
H -1.538744 -2.120264 0.816805
H -3.161457 -2.894521 0.669969
H -5.137630 2.148527 -1.338198
H 5.175160 1.487346 -1.041134
H 3.338275 -2.861908 0.805177
H 6.686711 -0.525504 -0.740832
H 5.783812 -2.662946 0.167569


