%chk=000286189.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286189

0 1
S -0.000038 -2.720743 0.023474
S 4.141496 1.183070 4.323110
S -4.141074 1.107955 -4.344260
O 0.215404 -3.440060 1.272954
O -0.215885 -3.461788 -1.213182
N 4.609731 0.922664 -1.060305
N -4.607678 0.943853 1.042943
N 3.555455 0.535871 1.706376
N -3.554586 0.506606 -1.716700
C 1.341931 -1.660910 -0.243730
C -1.341425 -1.655640 0.271987
C 3.564416 0.083334 -0.737362
C -3.562945 0.098254 0.734808
C 3.024558 -0.112579 0.587139
C -3.023608 -0.121750 -0.586115
C 5.271961 1.874501 -0.125156
C 5.177798 0.942934 -2.442303
C -5.269862 1.878901 0.090983
C -5.175497 0.989051 2.424456
C 1.935641 -0.977425 0.807095
C -1.935166 -0.990938 -0.790799
C 1.870828 -1.518169 -1.537103
C -1.869833 -1.489365 1.562747
C 2.938948 -0.677729 -1.778493
C -2.937482 -0.644212 1.789291
C 6.442853 1.226866 0.607793
C 4.476825 1.974930 -3.321802
C -6.441259 1.218651 -0.629801
C -4.474086 2.036506 3.285132
C 3.750563 0.719123 2.866177
C -3.749891 0.669645 -2.879455
H 5.630991 2.751074 -0.715705
H 4.529368 2.298207 0.586548
H 6.267697 1.165325 -2.372784
H 5.104907 -0.072412 -2.899640
H -5.628342 2.766129 0.665750
H -4.527325 2.289398 -0.628479
H -6.265355 1.210422 2.351169
H -5.102756 -0.017926 2.899959
H 1.566001 -1.114662 1.831652
H -1.565934 -1.146816 -1.812840
H 1.428029 -2.089318 -2.366023
H -1.427042 -2.045705 2.401679
H 3.315007 -0.598277 -2.798993
H -3.313165 -0.546181 2.808313
H 6.157391 0.285614 1.097143
H 7.276488 0.995239 -0.064250
H 6.825095 1.889107 1.396147
H 3.396355 1.789135 -3.391255
H 4.597232 2.995304 -2.938039
H 4.878051 1.959378 -4.342646
H -6.156358 0.268596 -1.102169
H -7.274796 0.999576 0.046558
H -6.823455 1.866721 -1.429870
H -3.393703 1.851514 3.357969
H -4.594021 3.049811 2.882933
H -4.875351 2.039641 4.306074


%chk=000286189-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286189

0 1
S 0.000119 -2.669890 0.022387
S 5.285158 -0.022045 4.377655
S -5.287356 -0.100215 -4.377299
O 0.251618 -3.428497 1.454907
O -0.251250 -3.454474 -1.396059
N 4.881082 0.904920 -0.946570
N -4.879070 0.923536 0.928975
N 4.200025 -0.100602 1.753979
N -4.200176 -0.131095 -1.753478
C 1.484975 -1.546629 -0.254488
C -1.484614 -1.541798 0.279287
C 3.776435 0.094479 -0.682736
C -3.775301 0.107467 0.679119
C 3.413591 -0.370469 0.645087
C -3.413366 -0.381453 -0.640306
C 5.536979 1.796589 0.045486
C 5.366272 1.089816 -2.335910
C -5.535102 1.797241 -0.078891
C -5.362610 1.134607 2.315162
C 2.262034 -1.177163 0.844015
C -2.262006 -1.191760 -0.825326
C 1.825937 -1.182485 -1.567757
C -1.825009 -1.154334 1.586005
C 2.950698 -0.369022 -1.764649
C -2.949265 -0.336950 1.768788
C 6.911594 1.292318 0.535040
C 4.689259 2.253938 -3.099158
C -6.913230 1.288055 -0.553212
C -4.682898 2.311131 3.056663
C 4.629876 -0.095493 2.887033
C -4.630839 -0.146578 -2.886127
H 5.663885 2.785327 -0.440361
H 4.860819 1.957677 0.897794
H 6.453427 1.283307 -2.276074
H 5.255632 0.141440 -2.890643
H -5.656781 2.796155 0.387104
H -4.861339 1.938624 -0.936623
H -6.449470 1.328944 2.252676
H -5.253041 0.196216 2.886814
H 2.022213 -1.548223 1.846114
H -2.022577 -1.580527 -1.820784
H 1.229310 -1.542019 -2.412282
H -1.228160 -1.499043 2.436543
H 3.188538 -0.068099 -2.786168
H -3.186563 -0.017798 2.784876
H 6.817238 0.333191 1.069565
H 7.611970 1.149103 -0.308009
H 7.360905 2.030178 1.224663
H 3.600865 2.102318 -3.199399
H 4.848083 3.215476 -2.578473
H 5.120797 2.344975 -4.112768
H -6.824545 0.316211 -1.065255
H -7.612146 1.167927 0.294635
H -7.360848 2.011602 -1.258907
H -3.594947 2.158690 3.160481
H -4.838956 3.263062 2.517851
H -5.114766 2.422444 4.068108


