%chk=000217539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217539

0 1
S 8.415579 -1.056948 0.597242
O -1.990387 0.505406 -0.405876
N 4.708829 0.421733 -0.225974
C 0.952484 0.963164 0.333124
C 2.332707 1.093902 -0.320486
C -0.079632 1.861468 -0.359255
C 3.360742 0.191390 0.380930
C -1.473263 1.708242 0.245080
C 5.742571 -0.491831 0.356521
C -3.238045 0.051477 -0.034854
C 7.105800 -0.071081 -0.186646
C -3.619274 -1.150174 -0.693748
C -4.075879 0.680763 0.888921
C -4.867825 -1.691131 -0.391223
C -2.709921 -1.796782 -1.683925
C -5.324303 0.106673 1.167846
C -5.719889 -1.068937 0.535329
H 1.016881 1.218523 1.408600
H 0.604726 -0.089605 0.290257
H 2.269213 0.840592 -1.396091
H 2.679894 2.146892 -0.280263
H -0.130710 1.610539 -1.441411
H 0.232160 2.922623 -0.305266
H 3.035090 -0.870235 0.333586
H 3.424976 0.458954 1.459790
H -1.461556 1.546644 1.335558
H -2.137168 2.550882 -0.013249
H 4.659712 0.283796 -1.241371
H 5.543081 -1.564962 0.144732
H 5.723195 -0.378728 1.466167
H 7.160625 -0.145632 -1.286821
H 7.311080 0.993978 0.059655
H -3.785057 1.597085 1.389416
H -5.188669 -2.610398 -0.880216
H -3.032210 -1.579676 -2.712291
H -1.676550 -1.426498 -1.587221
H -2.680895 -2.886918 -1.564662
H -5.984450 0.590505 1.886215
H -6.688507 -1.510613 0.754592
H 8.197447 -2.244383 -0.003411


%chk=000217539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217539

0 1
S 8.601334 -1.046087 0.519666
O -1.965207 0.436710 -0.346183
N 4.738190 0.380725 -0.238783
C 0.933050 0.905727 0.260224
C 2.367994 1.142051 -0.258936
C -0.070538 1.943140 -0.288937
C 3.380013 0.117818 0.289706
C -1.505476 1.728166 0.198401
C 5.796127 -0.522728 0.258647
C -3.270728 0.015263 -0.031438
C 7.178239 0.020433 -0.138971
C -3.649594 -1.241119 -0.592589
C -4.166478 0.756740 0.776193
C -4.949203 -1.720891 -0.317097
C -2.670631 -2.014801 -1.452022
C -5.460803 0.247295 1.032731
C -5.858007 -0.991371 0.488240
H 0.930448 0.945680 1.369802
H 0.589059 -0.108147 -0.020822
H 2.364518 1.095452 -1.369314
H 2.714399 2.158304 0.013581
H -0.065339 1.920485 -1.396327
H 0.242860 2.963402 0.013618
H 3.017321 -0.916692 0.059953
H 3.424321 0.199232 1.394144
H -1.548712 1.697950 1.307917
H -2.173459 2.537592 -0.162374
H 4.733296 0.431831 -1.267813
H 5.688997 -1.577711 -0.102568
H 5.730461 -0.559535 1.362075
H 7.284915 0.104171 -1.234755
H 7.339386 1.015521 0.304850
H -3.872751 1.718825 1.205756
H -5.252469 -2.685103 -0.742883
H -2.358121 -1.423317 -2.332421
H -1.746356 -2.248282 -0.891500
H -3.115825 -2.961023 -1.804090
H -6.151970 0.823341 1.658260
H -6.859535 -1.388122 0.685247
H 8.268875 -2.190226 -0.189888


