%chk=000188667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188667

0 1
S 3.285130 0.119422 1.222078
O -1.554913 0.516101 -0.154000
O -0.353642 0.125223 1.723955
N -4.628662 -0.826275 -1.017109
C -2.729475 -1.522477 0.628137
C -2.787300 0.015729 0.469336
C -2.501815 -2.162430 -0.757169
C -4.102656 -1.968445 1.175493
C -3.883548 0.390076 -0.553369
C -3.661778 -1.754721 -1.697157
C -5.205073 -1.524906 0.182729
C -0.391709 0.503446 0.583206
C 0.714607 1.040069 -0.329422
C 1.512014 2.077012 0.420297
C 1.492759 -0.139649 -0.858970
C 2.661116 1.756427 1.148428
C 2.642719 -0.623467 -0.229292
C 1.070958 3.412219 0.408625
C 1.028560 -0.793614 -2.014384
C 3.365014 2.728648 1.867485
C 3.328054 -1.740217 -0.720956
C 1.764973 4.388973 1.123887
C 1.703558 -1.909085 -2.510818
C 2.908930 4.047907 1.857237
C 2.851067 -2.385494 -1.862989
H -1.911759 -1.803133 1.328112
H -2.890995 0.532023 1.443223
H -2.435646 -3.258934 -0.665963
H -1.532592 -1.823309 -1.167070
H -4.279302 -1.540944 2.177148
H -4.115497 -3.064117 1.308058
H -4.606861 1.107628 -0.118277
H -3.428576 0.893635 -1.435158
H -3.276580 -1.248132 -2.604709
H -4.223759 -2.644324 -2.045094
H -5.789256 -2.396355 -0.175559
H -5.928297 -0.841517 0.670692
H 0.217018 1.549082 -1.208588
H 0.179345 3.686632 -0.154335
H 0.132691 -0.430765 -2.519527
H 4.261127 2.464348 2.430842
H 4.227102 -2.104945 -0.221874
H 1.414667 5.420257 1.114017
H 1.337696 -2.411725 -3.405080
H 3.444848 4.813030 2.417331
H 3.373939 -3.257706 -2.253247


%chk=000188667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188667

0 1
S 2.863342 -0.068213 1.496068
O -1.583941 0.501817 -0.334361
O -0.598954 0.870564 1.752869
N -4.635512 -1.153090 -1.028359
C -2.669022 -1.540921 0.638017
C -2.823892 -0.033560 0.326458
C -2.422688 -2.339049 -0.670765
C -4.009500 -2.006196 1.277061
C -4.002816 0.150538 -0.679725
C -3.611914 -2.047189 -1.657173
C -5.155929 -1.798274 0.218104
C -0.535897 0.883875 0.506795
C 0.675319 1.318063 -0.360594
C 1.599124 2.239784 0.421294
C 1.359575 0.063746 -0.914412
C 2.581420 1.734501 1.306714
C 2.323763 -0.647595 -0.156729
C 1.455090 3.644135 0.309008
C 1.003758 -0.434528 -2.192036
C 3.381791 2.605569 2.081356
C 2.899507 -1.841523 -0.653752
C 2.243695 4.525109 1.078994
C 1.568320 -1.625632 -2.695077
C 3.204636 4.001367 1.974964
C 2.513838 -2.335627 -1.917451
H -1.836642 -1.688438 1.347233
H -2.961554 0.533390 1.265390
H -2.363464 -3.416155 -0.425795
H -1.455245 -2.048563 -1.116266
H -4.211532 -1.433245 2.202608
H -3.921662 -3.069597 1.567754
H -4.779294 0.812190 -0.256280
H -3.622124 0.619651 -1.604400
H -3.252560 -1.547991 -2.575157
H -4.120912 -2.978939 -1.963147
H -5.613025 -2.761812 -0.069705
H -5.960841 -1.157654 0.622242
H 0.244518 1.871294 -1.214031
H 0.702488 4.046507 -0.380175
H 0.260025 0.112819 -2.782091
H 4.143631 2.195338 2.752789
H 3.653464 -2.369890 -0.060422
H 2.109849 5.607802 0.983918
H 1.275893 -1.996930 -3.682913
H 3.822961 4.674197 2.579010
H 2.961112 -3.260446 -2.297629


