%chk=000224611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224611

0 1
S -2.287978 0.156126 1.810869
O 1.271115 -2.004841 -0.741330
O 5.738793 -0.536943 0.975974
O 4.899449 1.147545 -0.235846
N -0.222917 -0.329503 -0.315259
C -0.501064 1.063362 -0.052465
C -1.358884 -1.228094 -0.368057
C -1.438483 1.415127 0.934537
C -2.397008 -1.079460 0.568602
C 1.099554 -0.860240 -0.371911
C 2.230279 0.056685 0.045650
C 0.131147 2.072387 -0.798291
C -1.432579 -2.243124 -1.334844
C 3.476229 -0.762182 0.380679
C -1.708753 2.752461 1.220258
C -3.506622 -1.921802 0.544810
C -0.134017 3.411779 -0.501565
C -2.540063 -3.095541 -1.344991
C -1.038963 3.753807 0.509450
C -3.572728 -2.938589 -0.414221
C 4.709774 0.083385 0.304568
H 1.942922 0.692413 0.911709
H 2.458498 0.774499 -0.779541
H 0.813250 1.819171 -1.609207
H -0.618445 -2.381118 -2.050383
H 3.388536 -1.241438 1.382150
H 3.577788 -1.629850 -0.323152
H -2.437881 3.018816 1.987904
H -4.315739 -1.795364 1.265633
H 0.366750 4.196517 -1.070323
H -2.595442 -3.891376 -2.088473
H -1.233576 4.801648 0.734634
H -4.431299 -3.607891 -0.435326
H 6.589755 -0.022571 0.937060


%chk=000224611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224611

0 1
S -2.131490 0.062617 1.997466
O 1.317534 -2.069129 -0.705636
O 5.779601 -0.531325 1.159049
O 4.983391 1.021939 -0.369469
N -0.202815 -0.340546 -0.303709
C -0.486995 1.055135 -0.051394
C -1.345850 -1.231098 -0.383771
C -1.373320 1.402234 1.000206
C -2.339920 -1.143819 0.622321
C 1.111375 -0.865891 -0.374463
C 2.267660 0.070090 0.000042
C 0.051673 2.077637 -0.868895
C -1.493256 -2.169646 -1.430655
C 3.476720 -0.743833 0.496391
C -1.667154 2.755190 1.274058
C -3.469169 -1.988798 0.594630
C -0.222878 3.432022 -0.583849
C -2.611542 -3.030653 -1.447928
C -1.073738 3.772639 0.494042
C -3.597727 -2.944246 -0.437912
C 4.771328 0.027213 0.361254
H 1.949841 0.813189 0.750882
H 2.582947 0.647830 -0.890031
H 0.683247 1.808194 -1.721233
H -0.721247 -2.238477 -2.199463
H 3.355939 -1.075506 1.541696
H 3.556687 -1.670620 -0.106507
H -2.360660 3.006753 2.083015
H -4.237054 -1.898055 1.369665
H 0.215093 4.216411 -1.209432
H -2.712107 -3.767131 -2.251906
H -1.293830 4.822615 0.712978
H -4.467652 -3.609093 -0.456697
H 6.626765 -0.028038 1.014558


