%chk=000208539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208539

0 1
S 1.431238 1.921432 0.593711
O -4.079613 -0.030714 0.404796
O 2.085915 1.687641 -0.685486
O 1.465562 3.251138 1.174609
N 4.160017 -1.901686 0.229107
N 2.174219 0.931004 1.789574
C 3.827857 -0.465394 0.480598
C 2.596935 -0.438299 1.417719
C 4.608323 -2.137649 -1.174308
C 5.125800 -2.427093 1.249835
C -0.175175 1.328095 0.503223
C 5.889631 -1.419575 -1.606611
C 5.089746 -3.956306 1.270740
C -0.574542 0.554738 -0.592121
C -1.094206 1.629691 1.523903
C -6.061114 -1.073177 -0.258179
C -4.615665 -0.847180 -0.691036
C -2.779563 0.371964 0.347836
C -6.815980 -1.923200 -1.286949
C -1.877007 0.065295 -0.685196
C -2.396333 1.157783 1.460557
C -8.263246 -2.154425 -0.861349
H 4.666656 0.115030 0.913709
H 3.570330 0.049879 -0.478975
H 2.810638 -1.004660 2.352923
H 1.746620 -0.971870 0.935574
H 4.730717 -3.236430 -1.302441
H 3.767175 -1.839226 -1.840829
H 4.819667 -2.042603 2.248149
H 6.166001 -2.073580 1.078625
H 2.838933 1.390584 2.423126
H 6.743306 -1.695434 -0.978365
H 5.781879 -0.329793 -1.555979
H 6.149020 -1.670014 -2.640880
H 4.056373 -4.323871 1.327232
H 5.535722 -4.388050 0.367903
H 5.634663 -4.349702 2.134601
H -6.081942 -1.557361 0.739755
H -6.565650 -0.095739 -0.113243
H 0.143491 0.332963 -1.393420
H -0.782097 2.247664 2.373997
H -4.530385 -0.271740 -1.627712
H -4.030839 -1.780072 -0.747988
H -6.306980 -2.898592 -1.420837
H -6.794214 -1.427886 -2.278264
H -2.171011 -0.532248 -1.540647
H -3.126586 1.377071 2.236524
H -8.811201 -1.210550 -0.755237
H -8.800400 -2.762378 -1.598921
H -8.325389 -2.677475 0.100347


%chk=000208539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208539

0 1
S 1.403105 1.801281 0.371288
O -4.370207 0.025325 0.544173
O 1.972950 1.429684 -1.119706
O 1.515137 3.312814 0.967978
N 4.533581 -1.894767 0.210416
N 2.181659 0.753286 1.711779
C 4.039489 -0.526752 0.477650
C 2.697881 -0.566376 1.256841
C 5.118015 -2.081181 -1.142264
C 5.321233 -2.461618 1.333629
C -0.372141 1.211005 0.417668
C 6.472117 -1.368601 -1.408801
C 5.490296 -3.990359 1.253576
C -0.848883 0.473000 -0.674710
C -1.176831 1.566951 1.518115
C -6.441497 -1.001512 -0.177453
C -4.982119 -0.750003 -0.558541
C -3.028688 0.387414 0.432519
C -7.193575 -1.798117 -1.269790
C -2.196554 0.052357 -0.668588
C -2.516698 1.146643 1.520998
C -8.664892 -2.068746 -0.889226
H 4.774818 0.088908 1.056289
H 3.862767 -0.001024 -0.477580
H 2.800302 -1.179013 2.173913
H 1.925951 -1.055180 0.636206
H 5.233372 -3.166032 -1.323398
H 4.369149 -1.723074 -1.873485
H 4.781571 -2.218788 2.269350
H 6.328168 -1.980348 1.423595
H 2.917635 1.373591 2.104981
H 7.268020 -1.736844 -0.735856
H 6.383378 -0.275210 -1.272032
H 6.799999 -1.552661 -2.448911
H 4.504447 -4.478985 1.158113
H 6.111510 -4.295677 0.392499
H 5.984037 -4.367043 2.168289
H -6.473675 -1.553297 0.781407
H -6.942394 -0.029496 -0.007235
H -0.182657 0.250734 -1.514768
H -0.767920 2.161501 2.340322
H -4.909187 -0.167102 -1.500122
H -4.432364 -1.705848 -0.684693
H -6.675460 -2.762324 -1.449203
H -7.157040 -1.239401 -2.227213
H -2.580190 -0.522077 -1.515571
H -3.187837 1.393383 2.348443
H -9.215209 -1.122015 -0.734345
H -9.186076 -2.637477 -1.680381
H -8.731196 -2.652932 0.047535


