%chk=000282271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282271

0 1
S 3.086828 -2.224469 -0.001012
O -1.509032 2.613206 0.005883
O -2.354903 -2.716169 0.004179
C 1.828657 0.080362 0.000347
C -0.559130 0.444831 0.001833
C -0.780689 -0.947707 0.001652
C 1.585993 -1.314527 0.000128
C 3.255850 0.398824 -0.000404
C 0.741518 0.961996 0.001216
C 0.298886 -1.840139 0.000814
C -3.081575 0.842889 0.000539
C -3.302270 -0.545755 0.000322
C -1.699563 1.413383 0.002513
C 4.065674 -0.762240 -0.001191
C -2.165321 -1.516614 0.002557
C 3.866760 1.658398 -0.000375
C -4.171151 1.720909 -0.001297
C 5.453396 -0.697003 -0.001920
C -4.610298 -1.042941 -0.001819
C 5.261999 1.732776 -0.001119
C 6.047686 0.569620 -0.001882
C -5.478757 1.218510 -0.003501
C -5.697793 -0.160002 -0.003773
H 0.894046 2.045600 0.001416
H 0.114028 -2.919720 0.000902
H 3.262911 2.564250 0.000216
H -3.988959 2.800502 -0.001028
H -4.771701 -2.125880 -0.001817
H 6.063457 -1.598610 -0.002494
H 5.748984 2.708024 -0.001107
H 7.134369 0.654609 -0.002447
H -6.323236 1.908561 -0.005005
H -6.714561 -0.554370 -0.005424


%chk=000282271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282271

0 1
S 3.124611 -2.314913 -0.000045
O -1.511989 2.676027 -0.000835
O -2.386460 -2.781866 -0.000828
C 1.847655 0.075791 -0.000318
C -0.572012 0.453050 -0.000539
C -0.800332 -0.962355 -0.000448
C 1.595054 -1.336176 -0.000249
C 3.273335 0.394553 -0.000224
C 0.746264 0.957650 -0.000478
C 0.293852 -1.858896 -0.000330
C -3.096383 0.853124 -0.000644
C -3.322763 -0.555185 -0.000551
C -1.711084 1.418032 -0.000779
C 4.098794 -0.771307 -0.000075
C -2.184014 -1.524856 -0.000455
C 3.894593 1.669785 -0.000264
C -4.200850 1.740460 -0.000676
C 5.504422 -0.693879 0.000035
C -4.649344 -1.052944 -0.000516
C 5.299214 1.761031 -0.000155
C 6.099791 0.586913 -0.000006
C -5.516933 1.237221 -0.000604
C -5.741919 -0.163356 -0.000525
H 0.879178 2.044561 -0.000597
H 0.084569 -2.932913 -0.000306
H 3.281691 2.577624 -0.000380
H -3.997634 2.815938 -0.000791
H -4.792586 -2.138056 -0.000475
H 6.123945 -1.595978 0.000151
H 5.780607 2.744357 -0.000186
H 7.191629 0.672881 0.000078
H -6.367250 1.927444 -0.000614
H -6.765546 -0.552660 -0.000469


