%chk=000223046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223046

0 1
S 2.396691 0.599929 2.118244
O 1.025425 1.016039 1.200916
O -3.629678 2.667725 0.959536
O 2.018823 -0.555721 2.887772
O 2.780709 1.823265 2.779075
N -1.931100 1.293495 0.311940
C -0.925768 2.282016 0.788023
C -0.030987 1.713148 1.893970
C -4.256680 0.574736 -0.040813
C -3.327470 1.597748 0.454694
C -3.782967 -0.628606 -0.607884
C -1.481700 0.086848 -0.241399
C -2.359329 -0.849371 -0.695174
C 3.461764 0.190318 0.846262
C -5.647821 0.813287 0.060937
C -4.721507 -1.585877 -1.072455
C 4.240258 1.181775 0.234067
C 3.561989 -1.139597 0.415445
C -6.548777 -0.131471 -0.397206
C -6.078284 -1.336283 -0.966306
C 5.210044 -0.483791 -1.240706
C 5.108901 0.849659 -0.803728
C 4.428762 -1.477008 -0.621918
C 6.127102 -0.839410 -2.360457
H -1.470253 3.188120 1.163671
H -0.295254 2.609760 -0.071928
H -0.556433 0.985422 2.542170
H 0.407024 2.526061 2.508656
H -0.390009 -0.051583 -0.274721
H -2.003387 -1.781733 -1.124991
H -5.986833 1.753451 0.505974
H -4.361064 -2.514480 -1.509559
H 4.173292 2.221554 0.575658
H 2.962519 -1.919899 0.900272
H -7.619720 0.044182 -0.322924
H -6.800602 -2.071655 -1.322501
H 5.711080 1.624704 -1.275729
H 4.502197 -2.512140 -0.952294
H 6.510410 -1.867139 -2.283908
H 5.606511 -0.764169 -3.329117
H 7.002824 -0.176908 -2.417462


%chk=000223046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223046

0 1
S 2.413336 0.742067 2.275377
O 0.856394 1.036438 1.255697
O -3.728742 2.363343 1.527733
O 2.166389 -0.475461 3.311480
O 2.896306 2.196375 2.811798
N -1.959277 1.471678 0.270599
C -1.051863 2.475421 0.869227
C -0.128847 1.899967 1.952874
C -4.198098 0.484262 0.050567
C -3.329068 1.500397 0.679355
C -3.674795 -0.462729 -0.893806
C -1.461556 0.541405 -0.644971
C -2.268489 -0.407718 -1.228859
C 3.492693 0.168332 0.860577
C -5.574862 0.455514 0.400807
C -4.563431 -1.422661 -1.465437
C 4.178931 1.139652 0.114339
C 3.591685 -1.211753 0.625112
C -6.432620 -0.496374 -0.172988
C -5.920851 -1.438999 -1.109952
C 5.144624 -0.696510 -1.222842
C 5.011908 0.688241 -0.931673
C 4.431438 -1.633795 -0.428703
C 6.022405 -1.162460 -2.369007
H -1.699614 3.236800 1.338778
H -0.444156 2.944905 0.075919
H -0.699413 1.308021 2.690387
H 0.401589 2.730980 2.459226
H -0.390904 0.614621 -0.846378
H -1.838835 -1.117715 -1.940045
H -5.935160 1.193063 1.125278
H -4.170940 -2.149561 -2.186325
H 4.085183 2.202454 0.358313
H 3.050247 -1.925786 1.253597
H -7.493410 -0.516941 0.098242
H -6.592859 -2.181536 -1.554926
H 5.567736 1.421026 -1.527327
H 4.534901 -2.705207 -0.633412
H 6.416838 -2.177766 -2.192633
H 5.448025 -1.192246 -3.315139
H 6.877864 -0.483345 -2.526759


