%chk=000097379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000097379

0 1
S 4.173550 -1.542105 2.077058
O -0.455827 1.719661 -0.667357
O 1.703182 0.290839 -1.448673
N -1.813822 -0.136544 -0.880347
N 0.582355 -0.373837 -0.901755
N 4.634910 0.491022 0.559257
C -3.043557 0.613114 -0.475412
C -4.247428 0.041535 -1.249747
C -3.265135 0.555422 1.050043
C -4.693449 -1.334854 -0.741427
C -3.703660 -0.829871 1.536536
C -4.938997 -1.324937 0.772985
C -0.573236 0.518248 -0.823753
C 2.431938 1.057310 -0.446217
C 3.251716 0.184471 0.448930
C 2.831951 -0.876092 1.201621
C 5.255718 -0.320903 1.375911
H -2.886783 1.687880 -0.775424
H -4.008669 -0.013094 -2.330095
H -5.087165 0.759632 -1.162099
H -4.033097 1.306375 1.322263
H -2.342701 0.871620 1.575309
H -3.935408 -2.099175 -0.996045
H -5.616816 -1.642617 -1.269299
H -3.922869 -0.790635 2.621047
H -2.874046 -1.552916 1.424892
H -5.806286 -0.677113 1.006485
H -5.215447 -2.338860 1.117559
H -1.869959 -1.146472 -0.767883
H 0.486728 -1.183538 -1.528816
H 1.736954 1.707828 0.123694
H 3.058217 1.683426 -1.121997
H 1.835796 -1.281932 1.271453
H 6.309141 -0.289087 1.623904


%chk=000097379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097379

0 1
S 3.529769 -1.514439 2.425498
O -0.583529 2.040161 -0.614331
O 1.746773 0.761889 -1.530940
N -1.773131 0.046677 -0.946685
N 0.572731 0.046281 -1.083377
N 4.311239 -0.354898 0.152741
C -3.084799 0.628773 -0.573295
C -4.220327 -0.162130 -1.268180
C -3.290706 0.648037 0.967089
C -4.401245 -1.585604 -0.681402
C -3.453578 -0.774416 1.551224
C -4.603657 -1.541106 0.853267
C -0.608801 0.803302 -0.889025
C 2.497409 1.322995 -0.352532
C 3.093709 0.259465 0.519408
C 2.530935 -0.220800 1.694417
C 4.678542 -1.280718 1.012782
H -3.073752 1.671629 -0.939153
H -4.035064 -0.205020 -2.358702
H -5.162035 0.402258 -1.121644
H -4.201384 1.243238 1.184259
H -2.440546 1.177391 1.435017
H -3.517055 -2.218451 -0.913869
H -5.262840 -2.080421 -1.169094
H -3.639987 -0.715693 2.640599
H -2.504974 -1.335575 1.422598
H -5.565199 -1.033396 1.075614
H -4.683956 -2.568625 1.257745
H -1.737276 -0.944669 -1.188083
H 0.556366 -0.887975 -1.503321
H 1.810773 1.984593 0.198953
H 3.285695 1.910103 -0.850296
H 1.604501 0.095004 2.168886
H 5.583197 -1.884061 0.946431


