%chk=000253860.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253860

0 1
S 2.087740 -1.676443 -0.006615
O -3.693669 -2.338562 -0.004395
O -4.218887 2.253698 0.007815
N -2.053215 1.477147 0.004290
N -0.642698 -1.818594 -0.005157
N -3.960729 -0.048312 0.001679
N 0.180443 0.327424 -0.000133
C 4.575000 -0.688037 -0.006980
C 5.557085 0.494828 -0.003499
C -1.749911 -0.947933 -0.002114
C -1.212616 0.369795 0.000917
C 3.138984 -0.184764 -0.003918
C 7.013431 0.009503 -0.007066
C 0.482518 -1.012824 -0.003828
C -3.161640 -1.247630 -0.001897
C -3.474428 1.292229 0.004803
C -1.488671 2.848213 0.007694
C 7.994361 1.179259 -0.004356
C -5.443671 -0.189532 0.002255
H 4.770074 -1.330771 0.877024
H 4.768446 -1.324278 -0.896029
H 5.377601 1.134707 0.882409
H 5.375567 1.141621 -0.883965
H 2.909331 0.441699 -0.889033
H 2.911405 0.436986 0.885043
H 7.199324 -0.635350 0.874474
H 7.197025 -0.629305 -0.893481
H -0.710224 -2.823207 -0.007682
H -2.305678 3.595791 0.008925
H -0.861535 3.005321 -0.887828
H -0.862525 3.001329 0.904593
H 7.866273 1.818085 -0.885826
H 7.867180 1.813266 0.880719
H 9.031842 0.825287 -0.005839
H -5.719910 -1.261179 -0.000005
H -5.876350 0.293140 -0.891103
H -5.875272 0.289095 0.898308


%chk=000253860-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253860

0 1
S 2.048515 -1.944492 -0.006124
O -3.831158 -2.344694 -0.004977
O -4.104323 2.374095 0.007452
N -1.958598 1.419464 0.004204
N -0.747661 -1.921011 -0.004845
N -3.943392 0.035130 0.001252
N 0.179074 0.162339 0.000190
C 4.599120 -0.761171 -0.006262
C 5.505104 0.494537 -0.003098
C -1.814782 -1.008007 -0.002143
C -1.209035 0.254830 0.000917
C 3.113470 -0.368031 -0.002192
C 7.011600 0.144342 -0.007977
C 0.423195 -1.178105 -0.003380
C -3.232828 -1.223741 -0.002221
C -3.376058 1.339972 0.004462
C -1.303467 2.740586 0.007524
C 7.913280 1.397850 -0.004912
C -5.423710 -0.013470 0.001562
H 4.829593 -1.382189 0.881916
H 4.826293 -1.375346 -0.900025
H 5.276960 1.113659 0.888963
H 5.272934 1.121002 -0.888968
H 2.829388 0.211142 -0.894827
H 2.832541 0.204715 0.895584
H 7.243435 -0.482543 0.876839
H 7.239331 -0.475231 -0.898986
H -0.846140 -2.936122 -0.007372
H -2.096401 3.502499 0.008738
H -0.669601 2.852290 -0.888169
H -0.670713 2.848450 0.904490
H 7.721621 2.026054 -0.895293
H 7.725445 2.018907 0.891286
H 8.984147 1.123984 -0.008293
H -5.715334 -1.074047 -0.000939
H -5.820186 0.499189 -0.890042
H -5.819655 0.494868 0.895867


