%chk=000221327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221327

0 1
S 0.380333 2.936285 -0.269584
O 0.129720 4.111071 0.542440
O 0.693947 3.085819 -1.664099
O 4.702576 -1.407620 0.746241
O -3.429013 -2.650067 -0.974261
N 1.793105 2.279825 0.546518
N -3.928406 -1.037782 0.602183
N 2.134101 1.033120 0.159825
C -0.846707 1.774640 -0.031511
C -2.874011 -0.117728 0.355802
C -0.890908 0.614179 -0.818181
C -1.823215 1.982452 0.953817
C -1.895389 -0.331062 -0.633472
C -2.835390 1.052329 1.155144
C -4.152695 -2.269211 -0.082748
C 3.514854 -0.891506 0.177995
C 3.225360 0.462976 0.606544
C 2.940871 -1.830541 -0.645085
C -5.355002 -3.015656 0.415732
C 3.789724 -2.995103 -0.606808
C 4.830482 -2.702864 0.234302
H -0.127607 0.444853 -1.588900
H -1.791809 2.891388 1.569451
H -1.920458 -1.234720 -1.254742
H -3.585879 1.229779 1.921058
H 2.392183 2.854703 1.156982
H -4.581427 -0.777726 1.346993
H 3.968577 0.903996 1.287258
H 2.037342 -1.730835 -1.215512
H -5.268882 -3.302539 1.473030
H -5.475652 -3.953430 -0.156397
H -6.289010 -2.450294 0.291324
H 3.612637 -3.904323 -1.148282
H 5.700148 -3.207110 0.589942


%chk=000221327-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221327

0 1
S 0.418067 2.739518 -0.311905
O 0.118267 4.162129 0.419434
O 0.884508 2.646849 -1.867266
O 5.344969 -1.144862 0.637920
O -4.117513 -2.569227 -1.159135
N 1.752000 1.952995 0.891504
N -4.279440 -0.996648 0.578574
N 2.263542 0.788880 0.392476
C -1.012042 1.569833 -0.048479
C -3.164401 -0.157217 0.324943
C -1.193575 0.517960 -0.959385
C -1.864790 1.802337 1.043696
C -2.282343 -0.357768 -0.774355
C -2.950333 0.927956 1.223412
C -4.708484 -2.128389 -0.134132
C 4.011879 -0.852418 0.248080
C 3.498100 0.418685 0.695586
C 3.513060 -1.915441 -0.507853
C -5.960852 -2.778678 0.450378
C 4.560263 -2.900375 -0.600545
C 5.651207 -2.404079 0.100984
H -0.507989 0.394458 -1.803254
H -1.692282 2.647808 1.716449
H -2.460597 -1.189458 -1.457174
H -3.634894 1.087585 2.065505
H 2.404798 2.736530 1.133968
H -4.843831 -0.742400 1.393365
H 4.176674 1.029504 1.319273
H 2.514283 -1.965067 -0.934938
H -5.784231 -3.133086 1.482964
H -6.233354 -3.640067 -0.175520
H -6.810699 -2.071419 0.469979
H 4.513361 -3.855089 -1.120535
H 6.651175 -2.774045 0.308985


