%chk=000290649.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290649

0 1
S -0.918101 -0.753740 -0.475456
O -0.503561 -1.634594 0.606160
O -0.915300 -1.253443 -1.838579
N 0.090204 0.649725 -0.462842
C 2.490176 0.918606 -0.928962
C 2.256688 1.117728 0.612834
C 3.410114 -0.348257 -0.983108
C 3.101879 -0.037736 1.248471
C 2.874731 -1.192637 0.219112
C 1.101852 0.744667 -1.562692
C 0.739608 0.995587 0.841675
C 4.748115 0.114690 -0.389796
C 4.563614 0.303200 0.930566
C -2.477154 -0.106842 -0.087142
C -3.163632 0.675104 -1.020037
C -3.049617 -0.383272 1.158602
C -4.425174 1.190305 -0.703580
C -4.310157 0.130281 1.475889
C -4.996042 0.917893 0.544032
H 3.009474 1.786699 -1.376916
H 2.623529 2.101406 0.957886
H 3.456197 -0.847479 -1.952510
H 2.873154 -0.259217 2.292502
H 1.831626 -1.522158 0.133009
H 3.473821 -2.087406 0.425656
H 0.834476 1.638414 -2.169877
H 1.059478 -0.128581 -2.251358
H 0.509590 0.250723 1.634859
H 0.313075 1.969943 1.166958
H 5.623779 0.250622 -0.988983
H 5.251238 0.631826 1.681214
H -2.722620 0.882358 -1.999703
H -2.513731 -1.008658 1.882794
H -4.961725 1.799479 -1.429188
H -4.758301 -0.085318 2.444487
H -5.980004 1.318480 0.790820


%chk=000290649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290649

0 1
S -0.868496 -0.703149 -0.010549
O -0.619595 -1.544747 1.373979
O -0.632225 -1.390476 -1.480217
N 0.157753 0.989597 0.082468
C 2.505726 1.121307 -0.740197
C 2.531890 1.010687 0.836232
C 3.324710 -0.154764 -1.192497
C 3.358561 -0.316638 1.078355
C 2.873488 -1.193480 -0.118320
C 1.007976 1.127752 -1.152252
C 1.048888 0.967944 1.295513
C 4.772437 0.091089 -0.739898
C 4.792649 -0.006177 0.621948
C -2.644482 -0.078056 0.027486
C -3.285871 0.153337 -1.199286
C -3.254210 0.099197 1.279329
C -4.624622 0.607697 -1.161198
C -4.592865 0.554695 1.295665
C -5.271592 0.811727 0.080638
H 2.996997 2.042011 -1.097293
H 3.042718 1.871163 1.300252
H 3.180638 -0.427797 -2.249005
H 3.245708 -0.736622 2.089475
H 1.791928 -1.407054 -0.119167
H 3.424980 -2.145028 -0.194087
H 0.723500 2.085211 -1.626266
H 0.763546 0.314175 -1.866702
H 0.820901 0.071981 1.909645
H 0.786488 1.858578 1.895927
H 5.594235 0.382641 -1.399883
H 5.634152 0.190947 1.292024
H -2.763929 -0.037241 -2.142443
H -2.710093 -0.132273 2.200498
H -5.158902 0.795631 -2.098279
H -5.102531 0.702264 2.253438
H -6.309154 1.162271 0.101462


