%chk=000216038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216038

0 1
S 1.732513 2.377217 -0.646844
O -1.227006 -2.822025 -0.449532
O -0.792115 -0.964211 0.763411
N -4.753047 -2.793911 0.722599
C 1.615506 0.584871 -0.283884
C 0.974689 -0.137120 -1.470457
C 0.641705 -1.594778 -1.130971
C 3.034061 0.179101 -0.011717
C -0.498840 -1.695159 -0.157287
C 4.026239 0.296726 -0.998002
C 3.374002 -0.325693 1.254311
C -3.556714 -2.264225 -0.005936
C -2.372007 -3.151916 0.397208
C 0.094868 3.001650 -0.463430
C 5.340577 -0.087659 -0.718899
C 4.688957 -0.710709 1.526393
C 5.674603 -0.593451 0.541096
C -0.924094 2.306233 0.187404
C -0.119601 4.280324 -0.991370
C -5.990904 -2.637730 -0.096552
C -4.913877 -2.118378 2.044463
C -2.183465 2.903718 0.311483
C -1.380640 4.867570 -0.858120
C -2.413522 4.180871 -0.208743
H 0.971645 0.440446 0.628752
H 1.646100 -0.115477 -2.354206
H 0.051487 0.393184 -1.789569
H 0.407867 -2.165552 -2.056727
H 1.531058 -2.104948 -0.692970
H 3.779325 0.695666 -1.981625
H 2.613847 -0.412343 2.030107
H -3.326312 -1.199087 0.215445
H -3.701553 -2.326938 -1.105891
H -2.086001 -3.032681 1.454873
H -2.531339 -4.217646 0.150941
H 6.107181 0.010830 -1.485936
H 4.946658 -1.099817 2.510242
H 6.698805 -0.891458 0.755762
H -0.759343 1.307058 0.606815
H 0.680269 4.818384 -1.500026
H -6.840087 -3.074575 0.454343
H -6.248065 -1.601159 -0.358077
H -5.880991 -3.217699 -1.027280
H -3.989507 -2.239456 2.631990
H -5.720880 -2.620766 2.602072
H -5.146071 -1.044579 1.991920
H -2.983839 2.369180 0.820650
H -1.559163 5.862860 -1.261891
H -3.393280 4.642559 -0.107837


%chk=000216038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216038

0 1
S 1.993053 2.709024 -0.513229
O -1.068201 -2.717260 -0.301031
O -1.247490 -0.489328 0.358896
N -4.592716 -3.330603 0.941908
C 1.564205 0.848862 -0.285802
C 0.817563 0.320296 -1.534715
C 0.372689 -1.152720 -1.401449
C 2.873008 0.130817 0.004129
C -0.716920 -1.370170 -0.363028
C 3.899205 0.045783 -0.974123
C 3.083552 -0.481638 1.265631
C -3.524361 -3.011610 -0.030446
C -2.149650 -3.092788 0.660795
C 0.357973 3.553882 -0.415966
C 5.102739 -0.638084 -0.697035
C 4.284941 -1.172382 1.543455
C 5.298891 -1.253322 0.561908
C -0.840770 2.938540 0.021256
C 0.356230 4.926714 -0.776222
C -5.759677 -4.008668 0.343973
C -4.986577 -2.173684 1.773427
C -2.028743 3.703259 0.095503
C -0.834510 5.679619 -0.691746
C -2.036011 5.071890 -0.255809
H 0.908920 0.793697 0.598189
H 1.479579 0.411277 -2.415007
H -0.063423 0.957136 -1.729321
H -0.011318 -1.525672 -2.370271
H 1.228781 -1.806059 -1.146966
H 3.761862 0.530646 -1.947868
H 2.303133 -0.413221 2.033321
H -3.649528 -2.001099 -0.489300
H -3.552101 -3.751211 -0.850597
H -2.097478 -2.423003 1.535840
H -1.918183 -4.127141 0.954073
H 5.888689 -0.689066 -1.459040
H 4.430265 -1.641650 2.522957
H 6.232657 -1.785100 0.776187
H -0.878969 1.881332 0.302869
H 1.281672 5.403417 -1.119519
H -6.454053 -4.319157 1.145706
H -6.331869 -3.366696 -0.372563
H -5.433189 -4.917146 -0.192147
H -4.097982 -1.708874 2.233052
H -5.652531 -2.511672 2.587382
H -5.521357 -1.382177 1.190439
H -2.950699 3.216892 0.434242
H -0.820967 6.739495 -0.970432
H -2.960633 5.655925 -0.193002


