%chk=000285448.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285448

0 1
S 0.549067 2.638701 -0.244581
S -1.230709 3.722346 -0.143793
S -3.933034 2.752587 -0.146028
O 5.934404 -1.049810 0.088402
N 0.458541 -0.075558 0.070590
C -1.683880 1.091355 -0.060938
C -2.451880 -0.172210 -0.061705
C -0.208315 1.001898 -0.046042
C -2.250714 2.310256 -0.091833
C -3.237963 -0.508579 -1.175618
C -2.393382 -1.034061 1.044616
C 1.874868 -0.207061 0.094909
C -3.972449 -1.696873 -1.171697
C -3.134008 -2.218923 1.040371
C 2.695440 0.534275 0.960384
C 2.428440 -1.215610 -0.730418
C -3.925166 -2.550257 -0.064291
C 4.605615 -0.698261 0.167918
C 4.070819 0.289158 1.003139
C 3.792442 -1.458279 -0.703043
C -4.712653 1.753366 1.135265
C 6.874539 -0.337251 0.928123
H -3.270522 0.153698 -2.040709
H -1.758048 -0.786160 1.894381
H -4.579900 -1.960026 -2.036324
H -3.086612 -2.889342 1.897126
H 2.266771 1.294234 1.615753
H 1.773776 -1.794452 -1.385061
H -4.498076 -3.475765 -0.065601
H 4.697273 0.864481 1.677078
H 4.250234 -2.220082 -1.331600
H -4.742702 0.687029 0.870361
H -5.746655 2.109505 1.245670
H -4.210931 1.854879 2.104779
H 6.643965 -0.504466 1.984032
H 6.882271 0.726379 0.673447
H 7.824835 -0.813923 0.653140


%chk=000285448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285448

0 1
S 0.434923 2.950742 0.403274
S -1.632656 3.945987 0.357350
S -4.256525 2.597233 -0.035181
O 5.870970 -1.373669 0.582806
N 0.443081 0.110496 0.166036
C -1.747202 1.174024 0.017718
C -2.423429 -0.137489 -0.231092
C -0.278638 1.185210 0.188164
C -2.449878 2.358299 0.086550
C -3.225326 -0.324657 -1.387318
C -2.274137 -1.211762 0.685307
C 1.818190 -0.128628 0.269511
C -3.872336 -1.559015 -1.617744
C -2.925603 -2.442995 0.456483
C 2.851189 0.854336 0.326575
C 2.205186 -1.505340 0.307986
C -3.727908 -2.621086 -0.695297
C 4.560636 -0.889961 0.479143
C 4.207532 0.481928 0.430633
C 3.548181 -1.884032 0.414712
C -4.803510 1.747703 1.569272
C 6.955551 -0.389805 0.646249
H -3.331244 0.493882 -2.106179
H -1.640395 -1.080928 1.567880
H -4.482257 -1.692175 -2.518129
H -2.804646 -3.262700 1.173460
H 2.611987 1.922447 0.270375
H 1.412287 -2.256967 0.248168
H -4.229210 -3.578903 -0.874882
H 4.972102 1.263530 0.467889
H 3.844216 -2.936637 0.446324
H -4.550585 0.679300 1.516199
H -5.894479 1.885888 1.624331
H -4.310355 2.233199 2.423586
H 6.855917 0.260701 1.536687
H 6.986387 0.233125 -0.268618
H 7.877685 -0.984082 0.721975


