%chk=000200575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200575

0 1
S -4.496404 -1.514543 1.577016
P -3.433482 -0.362847 0.429304
P 0.748739 1.118700 0.729790
O 1.407204 -0.389999 0.881842
O 1.466002 1.723613 -0.643283
O 0.932313 1.913389 1.960700
N -4.155419 1.229113 0.136825
N -3.149154 -1.054112 -1.166722
C -4.401234 2.158185 1.283419
C -5.561663 1.506491 0.563592
C -3.781183 -0.482271 -2.397388
C -4.236604 -1.817772 -1.851850
C -1.702285 -0.004293 1.062080
C -0.984868 0.886484 0.073787
C 1.440049 -1.221220 -0.312667
C 2.712030 2.441621 -0.442003
C 2.547889 -2.229222 -0.006244
C 3.881910 1.457806 -0.411357
C 2.632475 -3.310206 -1.089113
C 5.220729 2.202450 -0.493032
C 3.743182 -4.313590 -0.789560
C 6.401845 1.236039 -0.455841
H -4.171286 1.891259 2.320229
H -4.142404 3.205393 1.084044
H -6.152893 2.076886 -0.161722
H -6.180168 0.754365 1.073641
H -4.435975 0.394599 -2.367094
H -3.115487 -0.438722 -3.267743
H -3.904069 -2.752058 -2.322049
H -5.232897 -1.945368 -1.413233
H -1.777367 0.452330 2.077712
H -1.184810 -0.983442 1.218096
H -0.948194 0.466358 -0.955725
H -1.466393 1.884208 -0.039631
H 1.666177 -0.619298 -1.213411
H 0.450098 -1.707652 -0.410857
H 2.736719 3.092000 -1.339350
H 2.662270 3.073340 0.467127
H 2.361779 -2.683329 0.989530
H 3.515666 -1.700519 0.099670
H 3.787966 0.740609 -1.250730
H 3.852403 0.838858 0.509608
H 2.807897 -2.843948 -2.078725
H 1.663072 -3.841969 -1.169669
H 5.302533 2.921838 0.346751
H 5.263219 2.807572 -1.420149
H 4.725127 -3.829120 -0.739349
H 3.797703 -5.087281 -1.563983
H 3.581027 -4.821314 0.168932
H 6.413962 0.648970 0.470400
H 7.355071 1.774228 -0.513063
H 6.373684 0.528289 -1.292054


%chk=000200575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200575

0 1
S -4.724452 -1.221486 1.717300
P -3.454512 -0.068772 0.506473
P 0.888466 1.191453 0.736082
O 1.463179 -0.462039 0.768912
O 1.613430 1.924232 -0.669823
O 1.194163 1.914574 2.118980
N -3.998271 1.603212 0.113794
N -3.130544 -0.700511 -1.153949
C -4.766804 2.342495 1.203669
C -5.492642 1.840330 -0.025770
C -4.287329 -1.352405 -1.892209
C -3.178153 -2.213827 -1.328627
C -1.715176 0.214945 1.141893
C -0.890312 1.079534 0.173634
C 1.500864 -1.256989 -0.487441
C 2.890755 2.671838 -0.473554
C 2.242948 -2.555858 -0.164733
C 4.109310 1.738644 -0.468754
C 2.312407 -3.505397 -1.384755
C 5.431897 2.525677 -0.307993
C 3.065534 -4.814854 -1.065130
C 6.669012 1.601784 -0.306385
H -4.964032 1.806250 2.141738
H -4.494773 3.397836 1.294098
H -5.754979 2.527809 -0.834630
H -6.159263 0.979804 0.120914
H -5.255513 -1.407946 -1.377003
H -4.319180 -1.114230 -2.959039
H -2.397479 -2.607422 -1.986063
H -3.428254 -2.818118 -0.445840
H -1.808631 0.684249 2.136890
H -1.271816 -0.786843 1.285468
H -0.897670 0.662990 -0.847306
H -1.280349 2.108772 0.117794
H 2.017951 -0.679235 -1.278352
H 0.463317 -1.468861 -0.824685
H 2.915161 3.370085 -1.327729
H 2.828363 3.245907 0.471662
H 1.733597 -3.060282 0.678601
H 3.263985 -2.306775 0.181937
H 4.132160 1.159752 -1.413350
H 4.008904 1.011648 0.361513
H 2.810301 -2.988134 -2.230124
H 1.284180 -3.744752 -1.726273
H 5.401576 3.102808 0.638023
H 5.524674 3.267907 -1.127043
H 4.106441 -4.607013 -0.754711
H 3.101356 -5.484047 -1.944027
H 2.573027 -5.363194 -0.240566
H 6.616275 0.873281 0.524015
H 7.603076 2.180938 -0.189513
H 6.740328 1.031136 -1.251514


