%chk=000294792.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294792

0 1
S -1.281814 -0.627148 1.029148
O -1.384924 0.127488 2.255591
O -0.685959 -1.941813 0.981546
O 4.773553 -2.192246 0.620576
O 2.312029 3.085177 -1.978742
N -0.325858 0.362295 -0.052493
C 0.618581 -0.313461 -0.975672
C 2.063895 -0.137353 -0.567492
C 2.669117 1.127384 -0.703035
C -2.813173 -0.659563 0.250781
C -0.245443 1.750248 0.143106
C 2.800929 -1.226193 -0.114580
C 1.883400 2.327699 -1.128593
C 0.643067 2.610412 -0.392075
C 4.032427 1.280340 -0.424785
C 4.167936 -1.039356 0.184275
C -3.090369 -1.632318 -0.717900
C -3.796744 0.276389 0.595824
C 4.798095 0.202211 0.025938
C -5.316220 -0.713069 -1.016883
C -4.331524 -1.660347 -1.351372
C -5.039842 0.254303 -0.033271
C -6.648658 -0.745928 -1.683701
C 6.177740 -2.132000 0.973012
H 0.473141 0.102992 -2.005051
H 0.359770 -1.399674 -1.036218
H -1.054776 2.144043 0.786807
H 2.351082 -2.208576 0.029292
H 0.474598 3.686286 -0.269043
H 4.500747 2.258757 -0.563676
H -2.334640 -2.383341 -0.974206
H -3.594654 1.024228 1.371793
H 5.851565 0.338855 0.242160
H -4.539834 -2.419947 -2.103474
H -5.799715 0.984993 0.240343
H -7.103594 0.251515 -1.768905
H -6.604537 -1.163242 -2.699913
H -7.354689 -1.370791 -1.112490
H 6.331591 -1.436549 1.803124
H 6.777732 -1.866064 0.098204
H 6.373173 -3.166435 1.285649


%chk=000294792-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294792

0 1
S -1.134810 -1.053354 0.478707
O -0.967316 -0.452817 1.982403
O -0.657183 -2.563221 0.093538
O 5.017351 -2.104158 0.910131
O 2.639965 3.401639 -1.453955
N -0.233874 0.056010 -0.889237
C 1.000746 -0.561502 -1.416321
C 2.292899 -0.215339 -0.700110
C 2.774685 1.130373 -0.661900
C -2.929684 -0.814759 -0.030502
C -0.397765 1.419038 -0.747561
C 3.071746 -1.256434 -0.161756
C 2.006912 2.334386 -1.130061
C 0.535199 2.400950 -1.031607
C 4.058489 1.372689 -0.109584
C 4.341160 -0.989039 0.408434
C -3.407556 -1.504870 -1.155996
C -3.729371 0.015165 0.771296
C 4.845283 0.337136 0.426484
C -5.620993 -0.497904 -0.728906
C -4.766169 -1.333210 -1.498369
C -5.084856 0.168760 0.404767
C -7.086558 -0.349184 -1.091442
C 6.337898 -1.889126 1.512141
H 1.048990 -0.233239 -2.475220
H 0.835257 -1.653954 -1.410029
H -1.422068 1.722039 -0.488950
H 2.715696 -2.291456 -0.182042
H 0.152258 3.423296 -1.141618
H 4.419276 2.406421 -0.105922
H -2.749594 -2.160083 -1.735270
H -3.308530 0.503157 1.656627
H 5.824744 0.567227 0.855551
H -5.167613 -1.857146 -2.373101
H -5.733211 0.811960 1.010431
H -7.478470 0.640637 -0.800621
H -7.253380 -0.481246 -2.174195
H -7.697338 -1.110797 -0.569200
H 6.273406 -1.211495 2.384841
H 7.053807 -1.480491 0.773279
H 6.667772 -2.885859 1.838443


