%chk=000269956.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269956

0 1
S 2.750340 -1.188588 0.332073
S -3.676048 -0.579818 0.980211
O -0.255177 2.971280 0.243213
O 2.355783 0.466576 0.325349
O -2.543419 0.169661 -0.068495
O 1.203373 2.179130 -1.388017
O 2.660691 -1.675012 -1.015900
O 1.959731 -1.760082 1.387461
O -4.944469 -0.072949 0.541532
O -3.186356 -0.280489 2.305851
O -0.855289 -2.446692 -0.919433
N 0.034410 -0.356117 -1.189093
C -0.130885 0.040242 0.216101
C 1.055941 0.940933 0.659103
C -1.433041 0.859054 0.488832
C 1.008036 2.356473 0.013124
C -1.403776 2.224657 -0.219088
C -0.305922 -1.630059 -1.649028
C 1.306342 3.409539 -2.138556
C 4.410158 -1.001618 0.797828
C -3.480102 -2.235891 0.587324
C 0.095388 -1.915020 -3.065232
H -0.166120 -0.897509 0.852407
H 1.032808 1.052163 1.773568
H -1.556392 0.991477 1.595657
H 1.729591 3.075064 0.448688
H -2.248292 2.873042 0.074790
H -1.365013 2.122036 -1.316758
H 0.431849 0.354351 -1.814590
H 0.447015 4.056115 -1.930317
H 2.249432 3.908489 -1.898176
H 1.299371 3.060270 -3.177260
H 4.628363 -1.396141 1.803664
H 4.733312 0.054649 0.821457
H 5.114527 -1.502984 0.113941
H -2.546396 -2.442695 -0.007971
H -4.286955 -2.659486 -0.029346
H -3.371734 -2.900895 1.458572
H -0.330734 -2.873039 -3.398774
H -0.214000 -1.142952 -3.777124
H 1.197061 -2.014768 -3.123588


%chk=000269956-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269956

0 1
S 3.035774 -1.019591 1.432770
S -3.594428 -0.892653 1.194739
O -0.148276 2.881992 0.322905
O 2.312770 0.102942 0.070420
O -2.686720 0.187688 -0.107392
O 1.219090 2.126682 -1.523261
O 2.669955 -2.569655 1.173140
O 2.685232 -0.314062 2.851569
O -5.061469 -0.259706 1.421511
O -2.572461 -1.047884 2.448707
O -1.093029 -2.429749 -1.333423
N -0.126879 -0.314879 -1.452665
C -0.196295 -0.058332 -0.010340
C 1.048855 0.731989 0.467604
C -1.450222 0.770659 0.413355
C 1.067865 2.182786 -0.073979
C -1.392763 2.208159 -0.137472
C -0.543674 -1.501130 -2.011928
C 1.472184 3.445816 -2.131111
C 4.834565 -0.690175 0.930614
C -3.701969 -2.493983 0.186597
C -0.305712 -1.647960 -3.510401
H -0.243896 -1.037216 0.501807
H 1.009349 0.821418 1.574446
H -1.474459 0.797500 1.523718
H 1.885505 2.770695 0.383331
H -2.212300 2.818689 0.266972
H -1.436461 2.201039 -1.242145
H 0.369096 0.389328 -2.012095
H 0.653237 4.149739 -1.898159
H 2.432880 3.857890 -1.765464
H 1.530652 3.272949 -3.216092
H 5.000898 0.382431 1.089188
H 4.904247 -0.975857 -0.127042
H 5.452679 -1.322048 1.583313
H -2.696961 -2.638637 -0.250356
H -4.466780 -2.295710 -0.576690
H -4.006742 -3.270290 0.903135
H -1.275047 -1.786740 -4.019756
H 0.213401 -0.783300 -3.957687
H 0.291711 -2.558436 -3.688381


