%chk=000279967.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279967

0 1
S 1.975551 -0.822805 -2.196361
P 2.022146 -0.022298 -0.488092
O 0.649722 -0.120195 0.460921
O 2.315819 1.625488 -0.530865
O -2.716773 1.036479 1.350666
O -3.777272 0.237163 -0.468774
N 3.267559 -0.499774 0.664737
C -1.354889 0.785907 -0.610178
C -0.540397 -0.438812 -0.221335
C 4.072410 0.734553 0.914713
C 3.272063 1.987023 0.496601
C -1.537995 0.837434 -2.131701
C -0.744227 2.097075 -0.104124
C -0.873414 -1.743869 -0.343949
C 2.740911 -1.142653 1.900132
C -2.752396 0.635262 0.035113
C 0.013245 -2.842253 0.148763
C -2.148101 -2.190342 -0.978057
C -3.956903 0.928040 2.099259
H 5.001911 0.637246 0.298653
H 4.414745 0.810451 1.967349
H 2.699904 2.439942 1.327778
H 3.900935 2.759685 0.015667
H -0.568542 0.846711 -2.649503
H -2.090444 1.729467 -2.446289
H -2.094711 -0.040207 -2.501386
H 0.166877 2.370050 -0.655586
H -1.443749 2.933537 -0.210622
H -0.477916 2.020177 0.960447
H 3.588058 -1.611524 2.432445
H 2.031514 -1.960916 1.637810
H 2.219705 -0.468862 2.600879
H 0.684767 -2.520820 0.964495
H 0.644924 -3.224767 -0.671452
H -0.567548 -3.691782 0.531855
H -2.504961 -1.492291 -1.759907
H -2.048432 -3.173462 -1.456435
H -2.961207 -2.262289 -0.239043
H -3.750207 1.521595 2.995177
H -4.131950 -0.124936 2.337297
H -4.790232 1.337474 1.518203


%chk=000279967-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279967

0 1
S 2.180656 -1.259386 -2.068083
P 2.133237 -0.062523 -0.390635
O 0.593991 -0.040184 0.506402
O 2.538744 1.645011 -0.601563
O -3.027086 0.701376 1.157567
O -3.904142 1.046299 -0.963420
N 3.277106 -0.263110 0.895564
C -1.432988 0.832700 -0.676871
C -0.666301 -0.368764 -0.080967
C 4.021115 0.968572 1.225438
C 3.165333 2.129860 0.663706
C -1.369910 0.807671 -2.229234
C -0.847891 2.189462 -0.164196
C -1.075501 -1.672085 -0.025190
C 3.793488 -1.565412 1.323815
C -2.910120 0.848381 -0.225997
C -0.219706 -2.756835 0.602522
C -2.416534 -2.150104 -0.547338
C -4.403643 0.799552 1.696838
H 5.032260 0.949278 0.764723
H 4.133438 1.071219 2.321428
H 2.362918 2.411068 1.370237
H 3.766334 3.008439 0.385545
H -0.315909 0.834458 -2.556374
H -1.902828 1.678077 -2.649268
H -1.830772 -0.105357 -2.641267
H 0.178988 2.326740 -0.541628
H -1.470209 3.021732 -0.540917
H -0.831526 2.220606 0.937159
H 4.871561 -1.664611 1.081908
H 3.257097 -2.373029 0.796210
H 3.659262 -1.707205 2.412861
H 0.544999 -2.337448 1.275436
H 0.294567 -3.349052 -0.179532
H -0.854029 -3.455176 1.181145
H -2.950837 -1.415293 -1.167669
H -2.274932 -3.063906 -1.156168
H -3.078208 -2.428390 0.297710
H -4.292973 0.631967 2.777414
H -5.052183 0.033848 1.238249
H -4.826363 1.797457 1.489740


