%chk=000201129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201129

0 1
S 5.227215 0.021393 -0.457800
O 5.645402 -1.228534 -1.071896
O 5.606486 1.279962 -1.082336
N -2.952247 0.340449 0.240263
N -1.475981 2.095096 -0.872727
N -1.338744 -1.138332 0.911924
C -1.697998 0.878212 -0.169063
C -0.733173 -0.060315 0.254525
C 0.722338 -0.027336 0.073475
C -2.673658 -0.902138 0.913390
C 3.505999 0.000359 -0.253385
C -4.262221 0.812887 0.101642
C 1.447846 -1.234551 0.062989
C 1.402397 1.191349 -0.091804
C -3.771120 -1.651877 1.445953
C 2.831898 -1.215865 -0.107037
C 2.788324 1.198902 -0.260138
C -1.900518 2.008678 -2.301184
C -2.049513 3.285997 -0.181255
C -5.288250 0.069734 0.619091
C -5.040448 -1.172566 1.297773
C 5.846479 0.037627 1.188344
H -4.402788 1.762664 -0.418934
H 0.920083 -2.183002 0.190950
H 0.846183 2.131187 -0.104215
H -3.539939 -2.589376 1.954813
H 3.386771 -2.159578 -0.138659
H 3.310773 2.150361 -0.410584
H -1.417034 1.131461 -2.767351
H -1.529249 2.902188 -2.830591
H -2.984635 1.930594 -2.460641
H -3.144124 3.375151 -0.234502
H -1.606732 4.189739 -0.635008
H -1.752196 3.274486 0.881337
H -6.318349 0.411600 0.522887
H -5.897203 -1.720925 1.691076
H 6.485796 -0.832269 1.399158
H 6.474074 0.918973 1.385969
H 5.072659 0.038312 1.963154


%chk=000201129-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201129

0 1
S 5.304284 -0.109274 -0.480305
O 5.785957 -1.660876 -0.685980
O 5.670503 1.072834 -1.554323
N -3.031381 0.257626 0.217021
N -1.655331 2.107047 -0.720165
N -1.426737 -1.298392 0.732143
C -1.780987 0.831402 -0.148286
C -0.821484 -0.161064 0.185157
C 0.643300 -0.114630 0.021175
C -2.759638 -1.041162 0.751967
C 3.424613 -0.106776 -0.250066
C -4.321490 0.760695 0.119634
C 1.404967 -1.265359 0.374399
C 1.312534 1.033903 -0.489569
C -3.853838 -1.832198 1.201679
C 2.806915 -1.272500 0.234569
C 2.715549 1.044029 -0.630281
C -1.934623 2.279521 -2.159204
C -1.814616 3.299908 0.133044
C -5.383920 -0.016797 0.559518
C -5.151608 -1.325785 1.107274
C 5.997458 0.455843 1.215744
H -4.432254 1.759149 -0.307702
H 0.870038 -2.142532 0.749559
H 0.718220 1.906529 -0.775618
H -3.638739 -2.822873 1.609545
H 3.403051 -2.162246 0.463744
H 3.248283 1.903989 -1.050209
H -1.629282 1.371147 -2.704794
H -1.347159 3.130520 -2.554143
H -3.007702 2.477740 -2.385650
H -2.868032 3.653847 0.219221
H -1.216821 4.135669 -0.279118
H -1.441901 3.079888 1.147501
H -6.399154 0.380712 0.481443
H -6.001093 -1.924628 1.449012
H 5.662301 -0.279210 1.960127
H 7.088941 0.450364 1.087781
H 5.605480 1.464637 1.403758


