%chk=000294736.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294736

0 1
S -1.234708 -0.703069 0.461466
O -4.995668 -0.932939 -2.413675
O -5.129124 1.293670 -2.586890
O -7.443359 0.357502 1.298774
N -5.985396 -0.899606 0.083650
C 3.273056 -0.088097 -0.186402
C 1.940335 -0.325320 -0.683313
C 0.902637 0.568783 -0.405079
C 3.573943 1.171527 0.342764
C 1.173474 1.763824 0.327306
C 2.519269 2.087528 0.653908
C 4.245719 -1.187826 -0.292967
C -0.488672 0.294500 -0.876360
C 3.992115 -2.263148 -1.180534
C 1.719700 -1.475952 -1.553407
C 2.701425 -2.355192 -1.841037
C 4.986927 1.620209 0.546395
C 0.129235 2.673048 0.719441
C 2.779279 3.335882 1.321160
C 5.407813 -1.266266 0.509657
C -2.948548 -0.928265 -0.099778
C -3.779142 0.295378 0.251697
C 4.950849 -3.284942 -1.362827
C -5.204486 0.272073 -0.340376
C 0.412311 3.841730 1.370451
C 1.765844 4.184371 1.670909
C 6.333651 -2.287179 0.343205
C 6.122180 -3.288665 -0.620793
C -5.122651 0.327363 -1.868048
C -7.108271 -0.748509 0.916848
C -7.807409 -2.028201 1.265672
H -1.069849 1.220225 -1.050395
H -0.508523 -0.269104 -1.831014
H 0.725988 -1.588455 -1.993933
H 2.544802 -3.179026 -2.536592
H 5.085688 2.715548 0.569592
H 5.639443 1.270911 -0.269858
H 5.401068 1.237216 1.492744
H -0.904563 2.406596 0.497615
H 3.814936 3.593094 1.552405
H 5.571987 -0.533854 1.302376
H -2.986341 -1.161131 -1.181230
H -3.320359 -1.832580 0.424431
H -3.276508 1.228727 -0.081126
H -3.863252 0.392737 1.358091
H 4.754987 -4.078841 -2.082018
H -5.751634 1.211308 -0.001344
H -0.380057 4.525666 1.670644
H 1.967471 5.123749 2.182134
H 7.225839 -2.321324 0.966308
H 6.865918 -4.069843 -0.763649
H -5.677386 -1.802892 -0.265171
H -8.682588 -1.813727 1.903545
H -8.180534 -2.560250 0.380077
H -7.164264 -2.718038 1.828851
H -4.966799 -0.917720 -3.408400


%chk=000294736-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294736

0 1
S -1.449374 -0.861606 0.623924
O -5.811851 -1.277748 -2.753133
O -4.624158 0.685859 -3.118775
O -6.765280 0.554428 1.555522
N -6.208858 -0.861936 -0.193115
C 3.356655 -0.070570 -0.119302
C 1.970842 -0.378951 -0.481730
C 0.909291 0.510645 -0.153090
C 3.653189 1.226896 0.393399
C 1.191139 1.689051 0.613774
C 2.574792 2.073942 0.834460
C 4.378608 -1.119421 -0.337518
C -0.501499 0.251518 -0.625000
C 4.057358 -2.271400 -1.144388
C 1.699418 -1.592166 -1.233862
C 2.699462 -2.460341 -1.605486
C 5.059498 1.815297 0.405129
C 0.145977 2.528010 1.139449
C 2.831962 3.311400 1.525880
C 5.662987 -1.115977 0.292052
C -3.106422 -0.988295 -0.282414
C -3.952532 0.289556 -0.169988
C 5.041454 -3.270043 -1.405593
C -5.366205 0.157486 -0.830502
C 0.435742 3.707545 1.821817
C 1.796131 4.109264 2.008792
C 6.614825 -2.120784 0.047015
C 6.320143 -3.192167 -0.836694
C -5.221737 -0.072408 -2.329023
C -6.884573 -0.573206 0.983318
C -7.765009 -1.688399 1.534993
H -1.066315 1.189777 -0.725876
H -0.529604 -0.269153 -1.594660
H 0.666747 -1.828100 -1.501642
H 2.469645 -3.353875 -2.197932
H 5.021095 2.875754 0.100497
H 5.719455 1.295908 -0.305446
H 5.542183 1.783448 1.402248
H -0.896584 2.211399 1.039688
H 3.864843 3.618498 1.711445
H 5.906296 -0.348010 1.027012
H -2.889547 -1.249619 -1.334974
H -3.617429 -1.845078 0.190359
H -3.438332 1.140531 -0.652597
H -4.116106 0.547383 0.890411
H 4.768363 -4.122877 -2.038635
H -5.860075 1.140171 -0.688894
H -0.375221 4.321859 2.228023
H 2.021475 5.035363 2.549009
H 7.584152 -2.081818 0.556177
H 7.068811 -3.965585 -1.039162
H -6.369511 -1.736255 -0.695779
H -8.795890 -1.310804 1.645868
H -7.779286 -2.592373 0.902148
H -7.409376 -1.964397 2.542760
H -5.683965 -1.384424 -3.734060


