%chk=000210359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210359

0 1
S 6.126570 -1.021284 0.748696
S 6.822896 0.872940 0.352806
O 5.616990 1.723105 1.154057
O 8.015426 1.114898 1.092986
O 6.674081 1.161727 -1.031570
N 2.287665 -0.649754 -0.542988
C -1.499410 -0.168962 -0.163681
C -0.152385 -0.406178 -0.855147
C -2.664721 -0.257776 -1.161962
C 1.005708 -0.311022 0.151195
C -3.982585 -0.050167 -0.462411
C -4.696886 -1.125649 0.106556
C -4.500191 1.249122 -0.373109
C 3.471664 -0.457565 0.352118
C -5.721040 1.496789 0.270454
C -5.919140 -0.870705 0.746503
C -6.430951 0.424727 0.830145
C -4.183842 -2.529051 0.036206
C 4.659613 -1.137624 -0.325366
C -6.266020 2.887152 0.342814
H -1.648240 -0.907810 0.648569
H -1.510233 0.823171 0.329072
H -0.139959 -1.404325 -1.339219
H -0.011588 0.324774 -1.674291
H -2.648397 -1.235529 -1.684158
H -2.532780 0.496463 -1.964415
H 0.857747 -1.051233 0.969461
H 1.019381 0.693788 0.626379
H 2.393662 -0.063790 -1.379882
H -3.946334 2.077864 -0.809588
H 3.691626 0.615497 0.567351
H 3.262175 -0.936527 1.336284
H -6.479607 -1.694654 1.185875
H -7.380846 0.599250 1.329471
H -4.787071 -3.227631 0.629852
H -4.187911 -2.899855 -0.998732
H -3.151882 -2.600643 0.407750
H 4.459876 -2.221203 -0.482269
H 4.869429 -0.716854 -1.330948
H -6.849155 3.121749 -0.559894
H -6.930589 3.030613 1.204665
H -5.471460 3.640571 0.421716
H 5.897015 2.445691 1.740548


%chk=000210359-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210359

0 1
S 6.106502 -1.290449 0.879574
S 7.308667 0.737901 0.089818
O 7.063171 1.761760 1.626829
O 8.904215 0.599256 -0.140372
O 6.402317 1.383842 -1.095138
N 2.256370 -0.364198 -0.292864
C -1.600718 -0.136780 -0.087497
C -0.199570 -0.310880 -0.713359
C -2.742503 -0.252595 -1.136506
C 0.929995 -0.197946 0.328961
C -4.125014 -0.089915 -0.517589
C -4.835984 -1.201525 0.029400
C -4.700802 1.202638 -0.442735
C 3.428888 -0.423850 0.586633
C -5.959660 1.442892 0.161138
C -6.094177 -0.962770 0.635751
C -6.649952 0.333290 0.707617
C -4.284200 -2.617323 -0.036845
C 4.613324 -1.009191 -0.206713
C -6.560773 2.837938 0.194607
H -1.751093 -0.896770 0.705561
H -1.672976 0.850380 0.411152
H -0.125229 -1.295846 -1.214207
H -0.054119 0.458829 -1.501231
H -2.653465 -1.230350 -1.648353
H -2.586654 0.525449 -1.909797
H 0.812156 -0.991384 1.093756
H 0.839956 0.777346 0.867915
H 2.394419 0.208735 -1.135061
H -4.147459 2.049215 -0.872442
H 3.729770 0.559730 1.016214
H 3.184303 -1.085932 1.439304
H -6.647649 -1.809306 1.060957
H -7.625135 0.482305 1.187525
H -4.962766 -3.326653 0.467260
H -4.161474 -2.959966 -1.082548
H -3.292985 -2.701359 0.447288
H 4.356233 -1.976209 -0.677230
H 4.927570 -0.308095 -1.009242
H -7.156266 3.038266 -0.717649
H -7.234472 2.967566 1.060037
H -5.778794 3.616084 0.251609
H 7.784332 2.459967 1.630371


