%chk=000246745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246745

0 1
S -0.854687 -1.214111 -0.889892
O 0.380338 0.976793 -0.168509
O -0.731747 -2.568977 -0.368356
O -0.556985 -0.974661 -2.271411
O 1.904110 2.629116 -0.111664
N 0.352746 -0.400049 0.120673
N 1.990903 -2.172594 0.395273
C 4.042036 0.297395 0.506965
C 2.560338 0.267503 0.296716
C 4.783791 0.504372 -0.834344
C 1.718246 -0.831011 0.286008
C 4.419065 1.403345 1.502373
C 1.781318 1.446576 0.014968
C 4.676507 -0.710581 -1.750382
C -2.321083 -0.493310 -0.410506
C -2.547341 0.873541 -0.632102
C -3.310777 -1.270755 0.208676
C -4.755827 0.672652 0.354251
C -3.757026 1.452908 -0.256082
C -4.521872 -0.695735 0.585275
C -6.045667 1.301553 0.756120
H 4.361652 -0.684454 0.939914
H 4.377771 1.399955 -1.346119
H 5.848730 0.730838 -0.635730
H 5.493301 1.414074 1.706834
H 4.144033 2.396867 1.119753
H 3.896068 1.274747 2.455967
H 5.137706 -1.599162 -1.308513
H 3.629111 -0.953447 -1.971490
H 5.173018 -0.524762 -2.709863
H 2.879850 -2.458999 0.776734
H 1.225361 -2.850286 0.445285
H -1.766978 1.494699 -1.092372
H -3.131528 -2.336197 0.398775
H -3.925676 2.515248 -0.430545
H -5.286730 -1.306453 1.062425
H -6.773947 0.581356 1.153310
H -5.890242 2.063221 1.537035
H -6.529084 1.811189 -0.091852


%chk=000246745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246745

0 1
S -0.606714 -1.099990 -0.588219
O 0.564530 1.139604 1.025363
O -0.605141 -2.707777 -0.229985
O -0.025643 -0.554036 -2.018827
O 2.311253 2.724674 0.596530
N 0.504116 -0.272412 1.172337
N 2.022883 -2.115396 0.956590
C 4.249333 0.171709 0.439463
C 2.762570 0.275144 0.713384
C 4.576416 0.580039 -1.032233
C 1.853681 -0.758837 0.926401
C 5.072548 1.012298 1.451270
C 2.040525 1.523743 0.726849
C 3.915853 -0.324290 -2.094101
C -2.332648 -0.426989 -0.340713
C -2.687466 0.746322 -1.029225
C -3.196491 -1.113869 0.526809
C -4.910930 0.591243 0.031160
C -3.992117 1.244723 -0.835245
C -4.497262 -0.590804 0.700075
C -6.304243 1.155309 0.235077
H 4.547948 -0.892944 0.557636
H 4.263264 1.631505 -1.181682
H 5.677949 0.556563 -1.151777
H 6.154120 0.898955 1.253182
H 4.816792 2.083034 1.364621
H 4.874555 0.695611 2.490956
H 4.242549 -1.376999 -1.982869
H 2.812561 -0.299650 -2.028745
H 4.194116 0.001366 -3.112796
H 2.933763 -2.508849 0.728893
H 1.192768 -2.717968 0.878093
H -1.976177 1.238733 -1.699346
H -2.872797 -2.030336 1.029391
H -4.299377 2.156375 -1.360305
H -5.196951 -1.108537 1.365390
H -6.925906 0.492179 0.859490
H -6.262305 2.143310 0.731042
H -6.823125 1.299650 -0.730335


