%chk=000191276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191276

0 1
S -0.099875 -3.580063 -0.034906
O -1.399394 -1.554954 -0.587426
O 0.083230 1.752782 1.277501
N 0.697879 0.300787 -0.408996
C -1.665350 0.802179 -0.020512
C -2.224948 -0.423808 -0.401684
C -0.230094 1.007393 0.365690
C 2.123983 0.334511 -0.248610
C -2.518260 1.917724 0.036001
C -3.576271 -0.573989 -0.723423
C -3.871006 1.794480 -0.290510
C -4.398412 0.554712 -0.671942
C 2.764635 1.217440 0.635427
C 2.876912 -0.562127 -1.036603
C 4.158520 1.201164 0.723338
C 4.267094 -0.559725 -0.931997
C 4.913346 0.319788 -0.055499
C -1.032608 -2.355694 0.461151
C -1.486368 -2.029159 1.819544
H -2.107504 2.884168 0.347616
H 0.347237 -0.340328 -1.136471
H -3.961547 -1.548033 -1.023784
H -4.519443 2.670058 -0.246411
H -5.455584 0.466550 -0.928566
H 2.182449 1.908845 1.252551
H 2.385230 -1.257513 -1.714257
H 4.657994 1.885637 1.409112
H 4.852915 -1.251120 -1.537344
H 5.997868 0.314866 0.019825
H -2.577590 -1.882014 1.887123
H -1.226191 -2.819652 2.548354
H -1.018747 -1.100502 2.201907


%chk=000191276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191276

0 1
S -0.048413 -3.743866 -0.139713
O -1.219008 -1.420412 -0.585710
O 0.194994 2.407509 0.765749
N 0.813558 0.368242 -0.223682
C -1.576830 0.949362 0.001600
C -2.117559 -0.316178 -0.351596
C -0.112684 1.298105 0.223040
C 2.234533 0.434119 -0.159629
C -2.499367 2.017883 0.164735
C -3.493418 -0.511371 -0.581744
C -3.881579 1.838857 -0.036324
C -4.382229 0.572603 -0.421661
C 2.947872 1.553962 0.347756
C 2.946754 -0.700013 -0.640590
C 4.359243 1.521629 0.363174
C 4.354818 -0.713430 -0.618020
C 5.071801 0.398766 -0.116136
C -1.138641 -2.540367 0.276251
C -2.014341 -2.523060 1.505481
H -2.081086 2.986575 0.456846
H 0.424910 -0.481793 -0.652722
H -3.853071 -1.493701 -0.904364
H -4.565345 2.683767 0.093171
H -5.452325 0.428850 -0.603377
H 2.394551 2.417890 0.719061
H 2.393935 -1.568328 -1.022101
H 4.905002 2.387331 0.755157
H 4.891419 -1.593074 -0.990079
H 6.166866 0.388167 -0.098907
H -3.083287 -2.630657 1.244248
H -1.729287 -3.355607 2.162538
H -1.911685 -1.567358 2.053746


