%chk=000270768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270768

0 1
S 1.261135 -1.472539 -0.428645
S -0.658237 1.088164 -0.292112
O -0.377234 -0.570612 -2.213397
O 1.660773 -2.297547 -1.543943
O 0.438677 -2.029473 0.627218
O 0.041343 1.231942 0.971738
O -0.751317 2.216965 -1.185490
N 0.307162 -0.146190 -1.066398
C 2.642204 -0.686936 0.222754
C -2.212982 0.400215 -0.051751
C 3.865916 -0.789254 -0.456184
C -2.369255 -0.743003 0.740369
C 2.566275 0.029787 1.421427
C -3.331176 1.000280 -0.646236
C 5.007826 -0.180231 0.063190
C -3.644938 -1.279157 0.945494
C 3.713087 0.641373 1.942870
C -4.604029 0.464988 -0.441576
C 4.929471 0.537231 1.265307
C -4.759657 -0.675760 0.356428
C 0.288584 -0.115371 -3.431139
H 3.926692 -1.354798 -1.393569
H -1.495553 -1.236742 1.198282
H 1.607845 0.132664 1.954179
H -3.207210 1.891307 -1.273252
H 5.957480 -0.260519 -0.462809
H -3.763241 -2.170557 1.561148
H 3.647209 1.204249 2.873456
H -5.472991 0.931811 -0.902313
H 5.822474 1.015710 1.669935
H -5.754131 -1.094936 0.516128
H -0.424471 -0.463228 -4.188334
H 1.255311 -0.616686 -3.538802
H 0.387359 0.973954 -3.438772


%chk=000270768-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270768

0 1
S 1.233352 -1.312333 -0.266244
S -0.911034 1.410169 -0.052938
O -0.413748 -0.107309 -2.351048
O 1.548376 -2.299453 -1.535469
O 0.391185 -1.894643 1.013046
O -0.138197 1.406038 1.377172
O -1.223626 2.803181 -0.831388
N 0.405432 0.421292 -1.342992
C 2.876108 -0.605649 0.347156
C -2.523969 0.420857 0.036146
C 4.039155 -1.010908 -0.328052
C -2.540267 -0.774473 0.772552
C 2.857641 0.267054 1.447838
C -3.632060 0.970961 -0.629831
C 5.273575 -0.513982 0.150534
C -3.777746 -1.456282 0.850672
C 4.105281 0.753391 1.903777
C -4.855583 0.269786 -0.530753
C 5.304092 0.363164 1.260471
C -4.925328 -0.936594 0.205987
C 0.287018 -0.091592 -3.681547
H 3.976760 -1.695498 -1.179984
H -1.632974 -1.173481 1.242177
H 1.914644 0.571219 1.913682
H -3.540218 1.910425 -1.183774
H 6.204152 -0.813604 -0.342552
H -3.835671 -2.394902 1.410876
H 4.134029 1.440028 2.755926
H -5.746587 0.666212 -1.028307
H 6.264327 0.745573 1.623293
H -5.876996 -1.474522 0.275589
H -0.508745 -0.344415 -4.397551
H 1.075303 -0.858990 -3.664670
H 0.692718 0.916380 -3.864592


