%chk=000188658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188658

0 1
S -0.343275 -1.146915 2.138626
P -0.207574 -1.293607 0.271870
O 0.628537 -2.510797 -0.409587
O -1.625487 -1.431882 -0.582763
O 0.431138 0.011519 -0.544163
O -5.667855 3.362634 -0.225186
O 6.615404 0.956163 -0.002262
O -6.919379 1.737094 0.462853
O 5.862462 2.830212 0.774706
N -5.861089 2.192765 0.062126
N 5.710668 1.713362 0.308992
C 0.445620 -3.854845 0.164592
C 1.467610 -4.676438 -0.619450
C -2.616113 -0.481777 -0.361823
C 1.750629 0.355886 -0.272410
C 1.394625 -6.145843 -0.225331
C -2.422420 0.865492 -0.702415
C 2.809053 -0.489327 -0.638702
C -3.840933 -0.981398 0.108832
C 1.948053 1.631765 0.278353
C -4.728322 1.257614 -0.087678
C 4.326292 1.240365 0.105266
C -3.495355 1.741388 -0.560349
C 4.110953 -0.035693 -0.445169
C -4.907215 -0.097627 0.244748
C 3.253818 2.075967 0.466062
H -0.592810 -4.181111 -0.029488
H 0.663583 -3.837917 1.249251
H 2.486470 -4.274710 -0.443606
H 1.286324 -4.552760 -1.708218
H 1.602852 -6.297663 0.841017
H 2.133247 -6.736637 -0.783534
H 0.410441 -6.581354 -0.437286
H -1.459894 1.218668 -1.086134
H 2.616821 -1.473885 -1.077001
H -3.941965 -2.038471 0.356151
H 1.091604 2.250305 0.550111
H -3.390774 2.803478 -0.815701
H 4.970242 -0.660582 -0.719207
H -5.882228 -0.443409 0.610550
H 3.455644 3.065972 0.894557


%chk=000188658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188658

0 1
S -0.056872 -1.182505 2.390139
P -0.039128 -1.297462 0.349093
O 0.697821 -2.647793 -0.402315
O -1.558630 -1.314484 -0.511397
O 0.689711 0.006482 -0.558133
O -5.913687 3.191204 0.779824
O 6.879518 1.292826 0.413255
O -7.206788 1.593622 -0.212858
O 6.084850 3.358818 -0.142852
N -6.072175 2.040157 0.214791
N 5.925517 2.095660 0.075062
C 0.333147 -4.027691 0.072033
C 1.322682 -4.985817 -0.590351
C -2.637481 -0.438986 -0.270630
C 2.008002 0.471790 -0.345759
C 1.026144 -6.448550 -0.186699
C -2.492549 0.829592 0.340791
C 3.075487 -0.387698 0.007020
C -3.895672 -0.900979 -0.724371
C 2.209736 1.853846 -0.567593
C -4.880201 1.179209 0.045799
C 4.563631 1.532306 -0.072341
C -3.627808 1.644113 0.503117
C 4.366480 0.151701 0.150501
C -5.028088 -0.084449 -0.570690
C 3.501852 2.391258 -0.436393
H -0.707745 -4.231484 -0.240097
H 0.404005 -4.056054 1.176759
H 2.350577 -4.707903 -0.292396
H 1.257196 -4.869887 -1.687386
H 1.106496 -6.591340 0.906732
H 1.745496 -7.132837 -0.668842
H 0.010543 -6.756306 -0.497278
H -1.512925 1.178764 0.678965
H 2.900966 -1.459058 0.141677
H -3.962866 -1.886514 -1.192597
H 1.357610 2.480305 -0.844580
H -3.559739 2.628990 0.971988
H 5.219844 -0.474549 0.422470
H -6.015589 -0.405393 -0.911276
H 3.700037 3.453096 -0.601981


