%chk=000217438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217438

0 1
S -6.318184 -0.260071 1.191244
S -6.805925 1.265285 -0.092075
O 7.499515 0.954237 0.508406
O -7.042884 0.330223 -1.463208
O -8.081598 1.805480 0.238401
O -5.653929 2.064250 -0.344775
N -2.502950 -0.770265 -0.205013
C -0.083268 -0.772849 -0.711240
C 1.307149 -0.323638 -0.248608
C -1.175446 -0.225486 0.221877
C 2.407776 -0.864091 -1.175766
C -3.626188 -0.172703 0.584919
C -4.846848 -1.078819 0.388623
C 3.766406 -0.420482 -0.707749
C -4.740416 -2.408660 1.098342
C 4.298800 0.807516 -1.147892
C 4.507738 -1.214701 0.174485
C 5.549733 1.233402 -0.719992
C 5.770970 -0.809766 0.621271
C 6.277454 0.411947 0.166906
C 8.342072 0.202055 1.412824
H -0.139775 -1.880280 -0.737185
H -0.263825 -0.439320 -1.751175
H 1.495043 -0.666235 0.788008
H 1.361841 0.782163 -0.213009
H -1.145078 0.885803 0.237146
H -0.988602 -0.566266 1.264861
H 2.228528 -0.524641 -2.216113
H 2.355452 -1.970856 -1.220356
H -3.848482 0.880306 0.284071
H -3.342567 -0.133597 1.660722
H -2.651645 -0.572361 -1.202286
H -5.078013 -1.221674 -0.695255
H -4.636766 -2.315846 2.187743
H -3.830356 -2.934704 0.751308
H -5.594210 -3.068108 0.896297
H 3.723012 1.431347 -1.831430
H 4.101577 -2.163746 0.523544
H 5.978363 2.176798 -1.049336
H 6.330250 -1.439987 1.303155
H -7.864976 0.469527 -1.961534
H 9.219448 0.856381 1.498607
H 8.613322 -0.759979 0.969049
H 7.848182 0.080811 2.380989


%chk=000217438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217438

0 1
S -6.321659 -0.872069 1.477097
S -7.156438 1.135740 0.234623
O 7.560832 0.846171 0.588176
O -6.556889 0.646332 -1.493499
O -8.773835 1.142892 0.161576
O -6.371662 2.498249 0.598419
N -2.644453 -0.358736 -0.463818
C -0.192038 -0.652163 -0.808168
C 1.221301 -0.248979 -0.333453
C -1.304576 0.002294 0.035048
C 2.348663 -0.922137 -1.164652
C -3.832682 -0.000824 0.315506
C -4.790056 -1.228022 0.435403
C 3.739712 -0.504890 -0.709920
C -4.089904 -2.401582 1.155561
C 4.321460 0.709424 -1.167226
C 4.478980 -1.283010 0.211802
C 5.586520 1.131574 -0.720752
C 5.752989 -0.878257 0.675928
C 6.307445 0.337410 0.206492
C 8.344123 0.060641 1.543176
H -0.309750 -1.753135 -0.766345
H -0.316213 -0.359905 -1.872922
H 1.351476 -0.518989 0.733888
H 1.337706 0.851913 -0.392277
H -1.151840 1.108532 0.047575
H -1.224192 -0.339150 1.085395
H 2.203043 -0.660964 -2.232067
H 2.237278 -2.021745 -1.088462
H -4.380168 0.841909 -0.150583
H -3.531339 0.316256 1.330594
H -2.756234 -0.256518 -1.477981
H -5.140493 -1.533652 -0.564263
H -3.859973 -2.158234 2.209382
H -3.135278 -2.561533 0.613115
H -4.684703 -3.329669 1.123309
H 3.776711 1.329854 -1.890023
H 4.057867 -2.228886 0.575661
H 6.038574 2.063137 -1.075076
H 6.294050 -1.511070 1.386065
H -7.383780 0.577704 -2.055699
H 9.270113 0.634140 1.696349
H 8.589058 -0.940899 1.138074
H 7.810955 -0.050753 2.507774


