%chk=000257978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257978

0 1
S -0.274069 1.169548 0.416825
O -0.257891 2.533334 -0.040754
O 0.271772 0.700741 1.670131
O 3.944996 1.171983 1.322127
O 2.059463 1.834135 0.503306
N 0.469384 0.165447 -0.826323
N 2.903252 0.971793 0.718995
C -1.910336 0.609090 0.312917
C 1.556389 -0.702627 -0.631978
C -0.118251 0.262063 -2.185365
C 2.679453 -0.369113 0.170516
C -2.284108 -0.580425 0.947050
C -2.870166 1.365752 -0.368590
C 1.539607 -1.983847 -1.253547
C -4.568581 -0.275216 0.187742
C -3.604417 -1.026310 0.882551
C -4.191753 0.927185 -0.437565
C 3.682273 -1.335533 0.422204
C 2.549542 -2.901185 -1.019295
C 3.622320 -2.588084 -0.162516
C -5.985071 -0.738567 0.131787
H -1.049574 -0.324755 -2.262409
H 0.578640 -0.090613 -2.964956
H -0.335167 1.322856 -2.420646
H -1.541897 -1.161262 1.506533
H -2.584852 2.313320 -0.842060
H 0.702940 -2.252431 -1.896176
H -3.888801 -1.951538 1.380309
H -4.934016 1.522133 -0.966469
H 4.517374 -1.061430 1.080713
H 2.512883 -3.884121 -1.493846
H 4.397470 -3.326501 0.031738
H -6.500419 -0.414865 -0.783253
H -6.074755 -1.832755 0.180591
H -6.558433 -0.333100 0.981514


%chk=000257978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257978

0 1
S -0.192670 1.715843 0.196518
O -0.520162 3.195849 -0.380022
O 0.573846 1.428791 1.596710
O 3.639454 0.654506 1.978808
O 3.376744 1.760121 0.005491
N 0.926514 0.865668 -1.195270
N 3.182447 0.750432 0.775626
C -1.809615 0.738855 0.222345
C 1.462870 -0.375261 -0.783738
C 0.232659 0.992056 -2.491706
C 2.479056 -0.448215 0.226074
C -1.882808 -0.404048 1.036423
C -2.879025 1.201938 -0.562190
C 1.023105 -1.610043 -1.350133
C -4.212918 -0.698759 0.274671
C -3.100076 -1.119569 1.051763
C -4.084455 0.466860 -0.527535
C 2.966169 -1.689709 0.685929
C 1.548597 -2.845367 -0.928056
C 2.507244 -2.891919 0.111449
C -5.525986 -1.456922 0.330636
H -0.662340 0.344458 -2.620158
H 0.961206 0.757944 -3.287235
H -0.068403 2.046707 -2.606831
H -1.030682 -0.704411 1.654473
H -2.778813 2.119315 -1.151493
H 0.256356 -1.591546 -2.130647
H -3.187710 -2.012021 1.681845
H -4.937847 0.808611 -1.124277
H 3.720474 -1.688074 1.477500
H 1.196465 -3.771701 -1.394550
H 2.904786 -3.850023 0.460027
H -6.089966 -1.364055 -0.613446
H -5.368160 -2.530107 0.534143
H -6.171155 -1.061099 1.138659


