%chk=000198544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198544

0 1
S -2.204418 -2.678774 0.259878
S -4.463318 -0.644564 -1.247424
P -2.810195 -0.758547 -0.304508
O 1.574380 1.705762 0.465638
O 2.041780 1.335151 -1.716884
O 0.629469 -2.611714 -0.709133
O -2.680037 -0.026665 1.166633
O -1.489940 -0.080023 -1.021017
N 1.244389 -0.984152 0.767817
C 3.723827 -0.503385 0.597054
C 2.331102 -0.491670 -0.097843
C 4.215758 -1.945765 0.733852
C 3.713875 0.207964 1.950402
C 1.978314 0.920922 -0.584654
C 0.409722 -2.016048 0.330567
C -0.725402 -2.356298 1.267628
C 0.999004 3.020001 0.156633
C -0.499102 2.856053 0.038218
C -3.541647 1.133074 1.421103
C -1.178017 -0.509115 -2.394778
C -2.837146 1.838308 2.564061
C -0.847297 0.764801 -3.141260
H 4.424993 0.045910 -0.085988
H 2.385387 -1.149620 -1.022516
H 3.534697 -2.551466 1.344098
H 4.302686 -2.442425 -0.240142
H 5.202222 -1.983861 1.209965
H 3.199734 -0.377984 2.719889
H 3.215160 1.186171 1.890900
H 4.734712 0.382174 2.309525
H 1.019506 -0.399712 1.571053
H -0.922531 -1.598919 2.054427
H -0.500310 -3.305408 1.805171
H 1.465250 3.410785 -0.766707
H 1.313237 3.611435 1.033888
H -0.759067 2.048056 -0.672234
H -0.959369 2.567339 0.999244
H -0.983216 3.772608 -0.313891
H -4.535569 0.740832 1.714168
H -3.628153 1.775433 0.525841
H -2.011942 -1.058502 -2.867851
H -0.297869 -1.179370 -2.273540
H -2.640343 1.147164 3.395218
H -1.857329 2.235435 2.238938
H -3.434503 2.671528 2.951278
H -1.680964 1.477743 -3.119184
H 0.032867 1.271765 -2.709757
H -0.611985 0.556274 -4.192779


%chk=000198544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198544

0 1
S -2.306174 -2.843048 -0.045943
S -4.761734 -0.099750 -0.447690
P -2.783191 -0.604823 -0.172791
O 0.760987 1.831094 0.479630
O 2.359286 1.986885 -1.209966
O 1.082415 -2.742026 -0.841377
O -1.972620 -0.027518 1.257663
O -1.619441 -0.003842 -1.318891
N 0.896907 -0.866949 0.545877
C 3.363744 -0.272718 0.752816
C 2.028103 -0.168766 -0.080411
C 3.823183 -1.743983 0.849926
C 3.234352 0.364886 2.154363
C 1.737246 1.304207 -0.364937
C 0.504847 -2.117332 0.101305
C -0.652178 -2.733966 0.894586
C 0.416970 3.278034 0.282475
C -0.524242 3.471302 -0.909228
C -2.570748 1.104360 2.027999
C -1.743354 -0.464446 -2.740493
C -1.708916 1.266477 3.276519
C -0.381810 -0.234723 -3.388942
H 4.116387 0.295204 0.168693
H 2.217555 -0.658035 -1.054340
H 3.104049 -2.342761 1.438022
H 3.909433 -2.210508 -0.146839
H 4.805735 -1.802006 1.353321
H 2.460326 -0.155443 2.749331
H 2.966740 1.435668 2.104066
H 4.191804 0.278734 2.699250
H 0.237377 -0.313663 1.106545
H -0.850633 -2.214597 1.843133
H -0.417944 -3.795759 1.080890
H 1.357819 3.840849 0.147992
H -0.055783 3.555747 1.238727
H -0.001541 3.263464 -1.857047
H -1.397122 2.800849 -0.837761
H -0.880198 4.518189 -0.931862
H -3.620639 0.857313 2.271846
H -2.555040 2.011831 1.395973
H -2.547646 0.122189 -3.221183
H -2.012157 -1.539055 -2.749132
H -1.726855 0.348990 3.889258
H -0.663811 1.493876 3.004062
H -2.100370 2.099140 3.889883
H -0.075633 0.822327 -3.305998
H 0.384228 -0.871740 -2.916036
H -0.437310 -0.495457 -4.462290


