%chk=000252802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252802

0 1
S -2.249042 -1.879146 -0.346230
O -2.556380 -3.141170 0.298305
O -2.669089 -1.623183 -1.703913
N -2.987012 -0.733071 0.707071
C 1.360864 -0.249427 -0.794519
C 2.214090 0.801839 -1.464060
C 2.159118 -1.046088 0.088599
C 3.586623 0.542909 -0.886160
C 3.541244 -0.552538 0.030598
C 0.008105 -0.497194 -0.937719
C -0.562436 -1.545743 -0.191664
C 1.589836 -2.082866 0.815208
C 0.214187 -2.326229 0.665122
C 4.777264 1.205222 -1.137159
C 4.689768 -0.974062 0.686683
C 5.936105 0.771875 -0.468010
C 5.894304 -0.298185 0.427778
C -3.125671 0.660145 0.457431
C -3.287988 1.555186 1.552266
C -3.093707 1.159492 -0.856288
C -3.391122 2.924901 1.291920
C -3.348137 1.058742 2.961201
C -3.191995 2.533589 -1.084094
C -3.335889 3.419388 -0.015759
H 1.858541 1.826403 -1.239144
H 2.205452 0.699643 -2.566852
H -0.603820 0.101766 -1.618004
H 2.189113 -2.696709 1.483606
H -0.246630 -3.148463 1.226722
H 4.823471 2.039432 -1.832509
H 4.662724 -1.807648 1.385081
H 6.880489 1.282924 -0.655358
H 6.804652 -0.616210 0.933805
H -3.431167 -1.073973 1.568985
H -3.036434 0.480235 -1.714287
H -3.514800 3.621374 2.120909
H -4.237657 0.435636 3.131204
H -3.396636 1.879733 3.689527
H -2.460039 0.463040 3.216912
H -3.166887 2.909400 -2.106317
H -3.413712 4.488433 -0.195389


%chk=000252802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252802

0 1
S -2.522803 -1.981267 -0.532799
O -2.816525 -3.427916 0.147662
O -2.853826 -1.640158 -2.084419
N -3.618300 -0.745523 0.524574
C 1.227265 -0.259119 -0.809419
C 2.129143 0.750133 -1.506852
C 1.955989 -0.944563 0.214110
C 3.456359 0.578266 -0.777475
C 3.335295 -0.425783 0.232175
C -0.122611 -0.559727 -1.054269
C -0.705076 -1.553664 -0.243217
C 1.336228 -1.945066 0.999214
C -0.023058 -2.254052 0.770703
C 4.678840 1.243175 -0.976869
C 4.439267 -0.767281 1.045297
C 5.786043 0.900397 -0.161008
C 5.666142 -0.096277 0.840690
C -3.348765 0.638249 0.338371
C -2.742116 1.441154 1.361338
C -3.744402 1.223089 -0.897874
C -2.581712 2.824612 1.112899
C -2.303791 0.831266 2.681434
C -3.539306 2.596655 -1.129748
C -2.963488 3.404007 -0.119542
H 1.735404 1.781601 -1.419752
H 2.219759 0.538310 -2.590165
H -0.705165 -0.074591 -1.843914
H 1.895064 -2.484790 1.770787
H -0.538825 -3.039225 1.333485
H 4.781288 2.013609 -1.749470
H 4.353977 -1.536775 1.820776
H 6.745697 1.408985 -0.305218
H 6.534324 -0.347183 1.459930
H -3.481634 -1.094513 1.490325
H -4.216811 0.582959 -1.648677
H -2.139273 3.454884 1.893760
H -3.157070 0.417961 3.254665
H -1.822150 1.589674 3.320532
H -1.574119 0.011267 2.532897
H -3.846305 3.039455 -2.083332
H -2.819250 4.477167 -0.286107


