%chk=000274862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274862

0 1
S 2.874246 -1.771902 0.274962
O -4.102079 2.469586 0.224164
N -4.976380 0.368971 0.398670
C 0.793473 -0.195036 -0.130626
C -0.558917 0.134460 -0.350569
C -1.499290 -0.921274 -0.422861
C 1.150379 -1.557883 0.017889
C 1.973400 0.678944 -0.026923
C 0.231580 -2.602919 -0.040010
C -2.959781 -0.645309 -0.669790
C -1.107981 -2.258765 -0.264259
C 3.173945 -0.044846 0.189486
C -1.008759 1.544638 -0.530642
C -3.658305 -0.258559 0.648472
C 2.061302 2.073072 -0.110858
C 0.657329 -4.021964 0.126818
C 4.414156 0.565537 0.314806
C 3.302809 2.703838 0.013517
C 4.471731 1.960711 0.223130
C -5.081727 1.742429 0.177525
H -3.073969 0.169891 -1.416911
H -3.457312 -1.521919 -1.127558
H -1.857406 -3.046602 -0.319052
H -1.020889 1.819547 -1.595263
H -2.028551 1.734810 -0.142215
H -0.364324 2.271178 -0.010608
H -3.018760 0.465246 1.215398
H -3.793224 -1.149437 1.297132
H 1.159882 2.672801 -0.265990
H 1.138856 -4.183654 1.103792
H -0.180830 -4.727060 0.060755
H 1.386014 -4.314372 -0.645371
H 5.317213 -0.018782 0.479678
H 3.361065 3.789402 -0.053486
H 5.429163 2.470204 0.316125
H -5.764290 -0.252703 0.269780
H -6.104269 2.104021 -0.013504


%chk=000274862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274862

0 1
S 2.948061 -1.859377 0.264159
O -4.502724 2.405736 -0.273333
N -5.079153 0.282058 0.509184
C 0.835600 -0.182199 -0.138223
C -0.538362 0.179243 -0.343596
C -1.506238 -0.865072 -0.418479
C 1.171390 -1.565569 -0.001297
C 2.031079 0.679544 -0.038904
C 0.227108 -2.612186 -0.065224
C -2.989134 -0.577175 -0.619390
C -1.110180 -2.224049 -0.281097
C 3.234553 -0.068484 0.178556
C -0.948613 1.637626 -0.479190
C -3.682739 -0.152621 0.708318
C 2.165551 2.095165 -0.129110
C 0.635180 -4.063790 0.080971
C 4.502117 0.529822 0.307079
C 3.428384 2.707794 -0.003269
C 4.595949 1.934569 0.215436
C -5.374794 1.537985 0.024710
H -3.148745 0.227845 -1.357661
H -3.494333 -1.479331 -1.011939
H -1.878089 -3.005518 -0.350378
H -0.472755 2.103451 -1.363302
H -2.035352 1.775029 -0.583548
H -0.637690 2.221837 0.407219
H -3.127463 0.691162 1.153868
H -3.669090 -0.987070 1.431748
H 1.294150 2.726742 -0.300339
H 1.119920 -4.248529 1.059081
H -0.236598 -4.734717 0.001056
H 1.363855 -4.357233 -0.699187
H 5.396071 -0.080025 0.473148
H 3.504587 3.798063 -0.076606
H 5.571539 2.422974 0.311982
H -5.844362 -0.367670 0.698505
H -6.469179 1.720269 -0.075344


