%chk=000281430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281430

0 1
S -6.268399 -1.227935 1.360263
O 3.174545 2.299193 0.584499
O 0.044775 2.703051 -2.306450
O -6.652809 -1.109066 2.751599
O -7.202132 -0.936304 0.292679
N 2.325342 0.405653 -0.442465
N -0.216655 1.436251 0.134389
N -1.306247 1.921935 0.481399
N -5.811137 -2.872030 1.142172
C 3.486753 -0.442093 -0.421273
C 5.805192 -0.905372 0.083221
C 4.432323 -2.595433 -0.999262
C 0.884632 2.409652 -0.066763
C 3.334518 -1.728846 -0.978359
C 4.710142 -0.024288 0.109392
C 5.666997 -2.183663 -0.468736
C 2.246939 1.692396 0.083131
C -4.803216 -0.353774 1.096288
C 7.112217 -0.457528 0.651339
C 4.302502 -3.964399 -1.584616
C 0.818344 3.079856 -1.466524
C -2.443380 1.051566 0.673473
C -3.959619 -0.069206 2.175733
C -4.468358 0.071394 -0.194191
C -2.770427 0.632805 1.974563
C -3.283323 0.773040 -0.418455
C 1.776905 4.208267 -1.637596
H 0.874886 3.235526 0.706219
H 2.382118 -2.049778 -1.388727
H 4.822056 0.972801 0.543531
H 6.514315 -2.863174 -0.488749
H 1.467025 -0.023402 -0.816359
H 7.011590 -0.187229 1.713281
H 7.894223 -1.224295 0.584821
H 7.486958 0.435349 0.128892
H 3.294344 -4.175820 -1.963275
H 4.998400 -4.104010 -2.424972
H 4.536299 -4.738781 -0.839319
H -4.233804 -0.389831 3.188669
H -5.140171 -0.138490 -1.035874
H -2.111422 0.857615 2.812309
H -3.014808 1.106843 -1.422118
H 1.342536 5.156656 -1.282709
H 2.724762 4.070653 -1.087743
H 2.030846 4.360874 -2.699356
H -5.823838 -3.485893 1.953689
H -6.188837 -3.373338 0.341142


%chk=000281430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281430

0 1
S -5.967185 -1.712075 0.839933
O 3.399574 2.587868 0.452090
O 0.229308 3.217049 -2.209662
O -7.094532 -0.976727 1.756103
O -6.228574 -2.227471 -0.682420
N 2.296015 0.623422 -0.266078
N -0.107794 1.647951 0.053353
N -1.121548 1.975774 0.790710
N -5.383771 -3.174816 1.790221
C 3.348209 -0.330911 -0.375028
C 5.690535 -1.027911 -0.216086
C 3.964033 -2.644791 -0.936848
C 0.972534 2.654234 0.077291
C 2.986406 -1.638197 -0.799963
C 4.697819 -0.023944 -0.082821
C 5.316018 -2.323929 -0.640105
C 2.360873 1.943241 0.118237
C -4.443786 -0.599597 0.809891
C 7.140196 -0.698264 0.097393
C 3.585782 -4.043667 -1.392745
C 0.917550 3.547298 -1.217577
C -2.224861 1.051078 0.744216
C -4.298300 0.343601 1.839324
C -3.549850 -0.737465 -0.267443
C -3.170562 1.188332 1.792114
C -2.422109 0.103260 -0.298205
C 1.746743 4.811688 -1.135773
H 0.905551 3.325558 0.955614
H 1.936335 -1.865802 -1.026251
H 4.963209 0.984642 0.243085
H 6.085332 -3.099680 -0.743492
H 1.335539 0.306300 -0.471608
H 7.256333 -0.363631 1.145162
H 7.796944 -1.571941 -0.054078
H 7.511448 0.121269 -0.545871
H 2.502270 -4.131624 -1.582421
H 4.114282 -4.316623 -2.325323
H 3.857808 -4.799344 -0.632176
H -5.054230 0.431505 2.625515
H -3.756138 -1.457358 -1.065856
H -3.002424 1.955132 2.554227
H -1.704661 0.058870 -1.122798
H 1.232235 5.543567 -0.482524
H 2.728765 4.602260 -0.674500
H 1.865785 5.251167 -2.138043
H -5.947461 -3.246174 2.653638
H -5.461743 -4.005725 1.180379


