%chk=000239017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239017

0 1
S -1.072113 -2.636654 0.284444
O -1.154985 -3.053902 1.865718
O -1.252005 -3.705284 -0.948018
O 4.997234 0.776739 1.481510
O -5.595809 2.685254 1.395304
N 4.401351 -0.103171 -0.612853
N -5.344348 1.606071 -0.683787
C 0.608037 -1.809393 0.024668
C -2.367563 -1.288376 0.003496
C 3.125002 -0.666969 -0.347929
C 1.249474 -1.218940 1.124055
C 1.186890 -1.879354 -1.252650
C -2.933642 -1.174732 -1.276396
C -2.770151 -0.497764 1.090405
C 2.519565 -0.633936 0.940119
C 2.454887 -1.297969 -1.434907
C 6.595054 1.002263 -0.364330
C -4.340096 0.642432 -0.401327
C 6.956295 2.462136 0.007568
C -3.925378 -0.196892 -1.474837
C -3.761969 0.484872 0.890362
C 5.269564 0.562162 0.264795
C 8.365442 2.854198 -0.481527
C -5.922483 2.554163 0.176217
C -6.994862 3.411923 -0.494697
H 0.779078 -1.238914 2.112712
H 0.668919 -2.399715 -2.064726
H -2.623538 -1.852959 -2.077927
H -2.338250 -0.663052 2.083027
H 3.050247 -0.162264 1.768493
H 2.932303 -1.341184 -2.421882
H 6.587248 0.878131 -1.465694
H 7.385941 0.332213 0.029372
H 4.735256 -0.205113 -1.574135
H 6.886422 2.563850 1.105638
H 6.201352 3.148793 -0.422634
H -4.386237 -0.088679 -2.464760
H -4.098853 1.121939 1.709230
H 8.451643 2.772064 -1.581669
H 8.604118 3.896387 -0.203104
H 9.137377 2.200756 -0.033007
H -5.693379 1.604720 -1.645561
H -6.613191 3.903633 -1.408527
H -7.319641 4.185192 0.215687
H -7.872907 2.800126 -0.773933


%chk=000239017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239017

0 1
S -1.067953 -2.642865 0.266822
O -1.150297 -3.062371 1.847495
O -1.243841 -3.710317 -0.967142
O 4.979817 0.805233 1.467220
O -5.607686 2.652246 1.383409
N 4.393838 -0.082991 -0.626014
N -5.354382 1.587443 -0.694865
C 0.608827 -1.808553 0.008563
C -2.368318 -1.298322 -0.012320
C 3.120482 -0.653840 -0.362092
C 1.246182 -1.214263 1.108316
C 1.189458 -1.876634 -1.268022
C -2.932964 -1.183080 -1.292776
C -2.774954 -0.512622 1.076578
C 2.513460 -0.623028 0.925292
C 2.454815 -1.289158 -1.449292
C 6.582990 1.029679 -0.376107
C -4.346458 0.626099 -0.413779
C 6.980111 2.464110 0.050938
C -3.927835 -0.208078 -1.489593
C -3.770098 0.467075 0.878160
C 5.256561 0.589220 0.251925
C 8.396138 2.842078 -0.429219
C -5.932201 2.528994 0.167914
C -7.001166 3.407843 -0.476356
H 0.774866 -1.235733 2.096500
H 0.674902 -2.399948 -2.080380
H -2.619455 -1.857865 -2.095878
H -2.343539 -0.679584 2.069129
H 3.040575 -0.147622 1.753802
H 2.933477 -1.330743 -2.435721
H 6.556359 0.951973 -1.481499
H 7.365403 0.326626 -0.024295
H 4.729647 -0.183938 -1.586794
H 6.916074 2.524671 1.152330
H 6.239824 3.184491 -0.348339
H -4.387850 -0.098125 -2.479671
H -4.111323 1.100734 1.698038
H 8.476996 2.798378 -1.532004
H 8.659309 3.867759 -0.114033
H 9.154722 2.155569 -0.008060
H -5.702278 1.587890 -1.656217
H -7.167151 3.205095 -1.548674
H -6.714431 4.466289 -0.354402
H -7.953353 3.264985 0.063114


