%chk=000255366.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255366

0 1
S 0.387110 -2.040133 -0.031833
O -4.161495 0.372158 1.493297
O -1.949279 -2.274271 -0.244929
O -1.508788 2.324109 -0.507087
N -1.404899 -0.029008 -0.400519
N 0.983079 0.534616 -0.231966
C -3.723482 -0.580595 -0.598574
C -3.549528 0.971856 -0.685176
C -4.635937 -0.733534 0.662358
C -4.389995 1.458297 0.538523
C -6.065107 -0.263333 0.290852
C -5.892664 1.276875 0.205591
C -2.331188 -1.136924 -0.386240
C -2.059356 1.264983 -0.520384
C -0.033774 -0.294951 -0.239398
C 2.196403 -0.177803 -0.052167
C 2.065294 -1.568572 0.071311
C 3.489706 0.439916 0.003995
C 3.186062 -2.408650 0.252444
C 4.611624 -0.413365 0.186066
C 4.431964 -1.835304 0.307489
C 3.677717 1.848296 -0.113611
C 5.912971 0.173056 0.245531
C 4.943398 2.381672 -0.052006
C 6.071651 1.534138 0.129238
H -4.180484 -1.024153 -1.505929
H -3.909532 1.399828 -1.641667
H -4.529686 -1.659133 1.236319
H -4.075229 2.394423 1.010496
H -6.782499 -0.542987 1.080797
H -6.436747 -0.700409 -0.646227
H -6.171022 1.680628 -0.777766
H -6.520204 1.792399 0.952035
H 3.049003 -3.484961 0.345207
H 5.318484 -2.453161 0.446421
H 2.795704 2.479816 -0.251291
H 6.774655 -0.477418 0.384830
H 5.099586 3.455442 -0.140125
H 7.062685 1.983660 0.174494


%chk=000255366-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255366

0 1
S 0.465778 -2.385027 0.074881
O -4.126607 0.234870 1.516934
O -2.269982 -2.492711 -0.470393
O -1.280410 2.117920 -0.268961
N -1.409086 -0.282360 -0.390189
N 0.927470 0.265572 -0.251053
C -3.781423 -0.538368 -0.696920
C -3.447421 0.979146 -0.629493
C -4.724744 -0.724145 0.539578
C -4.250330 1.435778 0.635301
C -6.102432 -0.080138 0.223573
C -5.765607 1.455486 0.293999
C -2.450539 -1.254112 -0.518007
C -1.936103 1.073649 -0.414274
C -0.049873 -0.612944 -0.221227
C 2.176654 -0.331839 -0.036191
C 2.154725 -1.735653 0.163043
C 3.419316 0.391143 -0.014608
C 3.348558 -2.478604 0.384350
C 4.631900 -0.364220 0.211502
C 4.562969 -1.789788 0.406508
C 3.485103 1.805558 -0.205182
C 5.880979 0.337098 0.235303
C 4.721654 2.459421 -0.175902
C 5.926864 1.721603 0.044748
H -4.256149 -0.877040 -1.631977
H -3.721302 1.561568 -1.523965
H -4.728931 -1.731614 0.974666
H -3.841027 2.311914 1.154051
H -6.837792 -0.362153 0.994053
H -6.496191 -0.391079 -0.759585
H -5.977519 1.987624 -0.649480
H -6.328278 1.949109 1.102512
H 3.317627 -3.561684 0.534943
H 5.495124 -2.340768 0.577214
H 2.551215 2.352334 -0.369178
H 6.803874 -0.229881 0.406178
H 4.770619 3.544075 -0.321351
H 6.887519 2.247765 0.064997


