%chk=000218693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218693

0 1
S 1.813490 -2.542755 1.604703
O -1.467104 -3.176058 0.724037
O -5.092800 3.177931 -0.945299
O -6.313007 1.586654 -0.137621
N 3.906921 -0.775479 1.534694
N 2.394884 -0.510628 -0.174513
N -0.631442 -1.248695 -0.244614
N -5.243361 2.045557 -0.509305
C 4.364047 0.308122 0.755079
C 3.412673 0.456042 -0.316178
C 2.718084 -1.216828 0.925665
C 5.483990 1.150549 0.871050
C 3.596896 1.460765 -1.287192
C -1.812200 -0.462010 -0.276590
C 0.866836 -3.147450 0.197535
C 5.634007 2.128168 -0.097494
C 4.703947 2.280588 -1.161670
C -0.525444 -2.558270 0.274850
C -1.689418 0.861691 -0.771217
C -3.067469 -0.949539 0.143450
C -4.060141 1.181596 -0.428095
C -2.809512 1.675698 -0.845593
C -4.185431 -0.129605 0.066969
H 4.340204 -1.137323 2.365511
H 6.194043 1.033351 1.684137
H 2.881673 1.570685 -2.100043
H 1.368632 -2.953841 -0.775627
H 0.802782 -4.259177 0.282976
H 6.486685 2.807006 -0.053458
H 4.879682 3.070300 -1.892899
H 0.237233 -0.777418 -0.569183
H -0.719397 1.244362 -1.088619
H -3.162640 -1.971692 0.532575
H -2.735176 2.701697 -1.224981
H -5.168766 -0.493494 0.389161


%chk=000218693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218693

0 1
S 1.968600 -2.784320 1.786759
O -1.548408 -3.451633 0.483835
O -4.527259 3.505902 -0.906656
O -6.041386 1.840629 -0.522934
N 3.920081 -0.806861 1.450820
N 2.164604 -0.605055 0.018933
N -0.511001 -1.393502 -0.048995
N -4.827803 2.272833 -0.647044
C 4.196653 0.331495 0.666732
C 3.087554 0.439199 -0.237131
C 2.701461 -1.325895 1.021322
C 5.269766 1.242968 0.658841
C 3.043232 1.483277 -1.186628
C -1.620783 -0.534330 -0.179210
C 0.879271 -3.377436 0.330147
C 5.208931 2.282235 -0.295603
C 4.115548 2.400012 -1.201590
C -0.517833 -2.743160 0.274230
C -1.346588 0.838849 -0.459021
C -2.973776 -0.968837 -0.051422
C -3.725239 1.309155 -0.484800
C -2.390393 1.760578 -0.612075
C -4.020184 -0.044422 -0.205104
H 4.517923 -1.212324 2.169357
H 6.113550 1.159844 1.351024
H 2.208379 1.570387 -1.888848
H 1.461350 -3.190700 -0.587438
H 0.763082 -4.456915 0.502505
H 6.021577 3.014716 -0.340690
H 4.110133 3.221407 -1.925546
H 0.451384 -0.963822 -0.165182
H -0.306698 1.172674 -0.545072
H -3.178273 -2.018192 0.165595
H -2.199375 2.815590 -0.824063
H -5.064679 -0.353845 -0.112848


