%chk=000211129.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211129

0 1
S 1.583937 0.200312 -2.116965
P 2.200763 0.283501 -0.295301
O 1.009892 -0.149623 0.857813
O -4.780387 -1.511289 -1.160095
O -5.196320 0.127793 0.187462
N -4.433149 -0.641355 -0.376924
C 3.576635 -0.925985 0.169066
C 2.688047 1.989866 0.354122
C 3.134856 -2.327473 -0.231564
C 3.867188 -0.818442 1.660263
C 1.575374 2.974286 0.021990
C 4.015669 2.382697 -0.279823
C -0.298642 -0.263640 0.444133
C -0.720051 -1.251069 -0.461763
C -1.206139 0.592756 1.098983
C -2.081153 -1.364146 -0.733050
C -2.562545 0.463748 0.829738
C -2.995385 -0.511840 -0.088320
H 4.493706 -0.650267 -0.415582
H 2.802388 1.926705 1.467462
H 3.929825 -3.056425 -0.015829
H 2.247826 -2.673488 0.318540
H 2.921031 -2.421461 -1.308164
H 4.590250 -1.591268 1.963860
H 2.974508 -0.984745 2.284107
H 4.309209 0.142937 1.949440
H 1.830169 3.979898 0.386848
H 1.401277 3.082538 -1.061567
H 0.613360 2.711724 0.482981
H 4.302191 3.396336 0.042719
H 3.974203 2.429521 -1.379892
H 4.849392 1.728009 0.002017
H -0.008149 -1.915031 -0.955718
H -0.836429 1.329371 1.810464
H -2.448827 -2.114162 -1.444109
H -3.299422 1.111610 1.318659


%chk=000211129-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211129

0 1
S 1.951149 0.437243 -2.472510
P 2.316224 0.478874 -0.425133
O 0.898808 0.342644 0.703565
O -4.761944 -2.020803 -1.111264
O -5.371129 -0.701679 0.649116
N -4.484305 -1.196937 -0.153144
C 3.405043 -0.945174 0.225815
C 2.946149 2.147729 0.230652
C 2.799829 -2.301338 -0.192188
C 3.626722 -0.834294 1.749224
C 1.980407 3.266421 -0.208901
C 4.390534 2.383076 -0.263191
C -0.404659 -0.051447 0.402739
C -0.743441 -0.954010 -0.641106
C -1.411226 0.478835 1.254709
C -2.087432 -1.324849 -0.823534
C -2.750894 0.100313 1.080087
C -3.076758 -0.799402 0.037616
H 4.361005 -0.794257 -0.314177
H 2.918768 2.037768 1.331143
H 3.507962 -3.110774 0.062371
H 1.854523 -2.497224 0.345407
H 2.607276 -2.340530 -1.279058
H 4.246628 -1.685321 2.086729
H 2.665890 -0.875033 2.290640
H 4.151740 0.094251 2.036736
H 2.344231 4.235878 0.178243
H 1.927362 3.327494 -1.310747
H 0.960683 3.099696 0.179018
H 4.744527 3.363632 0.103862
H 4.429213 2.398084 -1.367520
H 5.096301 1.614249 0.101308
H 0.029547 -1.338880 -1.310344
H -1.116367 1.175024 2.044960
H -2.382218 -2.013942 -1.619120
H -3.545050 0.486581 1.723998


