%chk=000202863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202863

0 1
S 1.390332 -2.588846 0.543367
O 2.564286 -2.353841 1.358225
O 1.531135 -2.683563 -0.895122
N -2.109502 0.377630 0.250953
N 0.251400 -1.349214 0.891855
C -0.895439 0.825661 1.019020
C -1.945019 0.493384 -1.236428
C -3.368584 1.070226 0.685316
C -3.131448 -0.187420 -1.940652
C -4.581773 0.399995 0.016723
C -4.462972 0.439283 -1.511313
C 0.288741 -0.102383 0.594173
C -0.534972 2.304538 0.781743
C -1.114058 0.596138 2.526642
C 1.444689 0.541436 -0.107326
C 2.514553 1.046863 0.644807
C 1.471770 0.613035 -1.505977
C 3.600049 1.639605 -0.006049
C 2.559687 1.205979 -2.151787
C 0.552248 -4.002301 1.132369
C 3.621746 1.722751 -1.402403
H -1.005403 -0.026749 -1.535957
H -1.858253 1.547849 -1.576591
H -3.359324 2.156356 0.449503
H -3.465685 0.975021 1.788168
H -3.130802 -1.268362 -1.691747
H -3.002695 -0.117931 -3.035625
H -5.510107 0.898479 0.347990
H -4.649640 -0.653386 0.356544
H -4.530221 1.481977 -1.874163
H -5.307586 -0.103021 -1.974640
H 0.339086 2.608195 1.368967
H -0.302921 2.515549 -0.268230
H -1.359846 2.963491 1.072672
H -1.841391 1.294617 2.950671
H -1.482722 -0.426002 2.708627
H -0.179544 0.708209 3.086135
H 2.510055 0.959395 1.731309
H 0.649353 0.184817 -2.086770
H 4.435486 2.025509 0.576171
H 2.584925 1.252816 -3.239326
H 0.471887 -4.793413 0.372313
H 1.045387 -4.456250 2.004294
H -0.482585 -3.791010 1.450119
H 4.471576 2.180286 -1.906770


%chk=000202863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202863

0 1
S 1.384195 -2.462193 0.111477
O 2.273654 -2.594020 1.476873
O 2.119868 -2.390478 -1.344674
N -2.212232 0.513214 0.212675
N -0.091470 -1.126766 0.322010
C -0.900993 1.168346 0.510136
C -2.428130 0.186234 -1.220688
C -3.421551 1.139923 0.800489
C -3.587518 -0.818426 -1.378032
C -4.629695 0.180449 0.698467
C -4.884496 -0.244797 -0.764774
C 0.253848 0.134115 0.240022
C -0.690244 2.497219 -0.278720
C -0.761549 1.464979 2.033814
C 1.653372 0.639252 0.021930
C 2.600568 0.574358 1.077153
C 2.049986 1.142991 -1.243507
C 3.919535 1.034006 0.870756
C 3.372752 1.586934 -1.447017
C 0.181683 -3.932239 0.081516
C 4.309196 1.542824 -0.387972
H -1.502367 -0.247868 -1.634076
H -2.669054 1.104378 -1.816700
H -3.684960 2.101089 0.284499
H -3.239217 1.372354 1.862133
H -3.311489 -1.756488 -0.859661
H -3.731777 -1.049972 -2.451204
H -5.523770 0.677241 1.123217
H -4.417317 -0.716152 1.311876
H -5.209574 0.637791 -1.354565
H -5.703673 -0.986632 -0.816155
H 0.249586 2.997121 0.008215
H -0.674376 2.339452 -1.370529
H -1.528224 3.179640 -0.045853
H -1.384833 2.328019 2.325693
H -1.057648 0.580024 2.622031
H 0.283947 1.721634 2.276362
H 2.317994 0.144634 2.042892
H 1.337562 1.158650 -2.074947
H 4.644910 0.972192 1.688842
H 3.674672 1.955239 -2.433351
H 0.812240 -4.827540 -0.007747
H -0.374215 -3.896289 1.026874
H -0.470007 -3.786262 -0.789577
H 5.336709 1.887218 -0.548404


