%chk=000182688.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182688

0 1
S 0.115893 -0.878083 1.646608
O 0.825402 -1.848197 -0.698207
N 2.542375 -0.823983 0.454370
C 3.874974 1.649467 -0.381995
C 3.489406 0.568116 -1.400621
C 2.959090 1.606304 0.848981
C 3.432817 -0.822757 -0.749138
C 2.935233 0.197189 1.464550
C 1.225725 -1.218800 0.257265
C -1.422860 -1.665740 1.069595
C -2.236798 -0.632922 0.365907
C -2.009136 -0.376081 -0.996760
C -3.229328 0.083193 1.052421
C -2.770206 0.585964 -1.662422
C -3.987476 1.045554 0.379022
C -3.761277 1.297991 -0.977147
H 4.929401 1.516157 -0.072023
H 3.820112 2.647940 -0.856046
H 2.505050 0.808790 -1.850319
H 4.210738 0.556500 -2.238934
H 3.296745 2.338925 1.605276
H 1.931487 1.912457 0.567516
H 3.064958 -1.583052 -1.477021
H 4.442689 -1.147663 -0.416681
H 3.951727 -0.082355 1.829681
H 2.275752 0.164996 2.357793
H -1.928303 -2.088838 1.959611
H -1.177703 -2.524200 0.401505
H -1.229063 -0.928602 -1.528147
H -3.409340 -0.104383 2.108659
H -2.591867 0.781947 -2.718387
H -4.756365 1.599604 0.914445
H -4.353755 2.046061 -1.498957


%chk=000182688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182688

0 1
S 0.070429 -0.698031 1.700247
O 0.792068 -1.784529 -0.740017
N 2.440873 -0.485548 0.285888
C 4.505237 1.507101 -0.271802
C 3.939251 0.596879 -1.387567
C 3.449841 1.723173 0.838354
C 3.419769 -0.735716 -0.803734
C 2.935542 0.370908 1.385726
C 1.192525 -1.062456 0.216542
C -1.496089 -1.583803 1.043193
C -2.467588 -0.653452 0.359156
C -2.334463 -0.376742 -1.027651
C -3.530066 -0.049570 1.080429
C -3.244517 0.487305 -1.675109
C -4.440327 0.815922 0.433354
C -4.300004 1.087116 -0.947665
H 5.407553 1.032158 0.167125
H 4.826061 2.478610 -0.691619
H 3.107623 1.111883 -1.906307
H 4.716255 0.378158 -2.144754
H 3.876345 2.309378 1.674450
H 2.592746 2.295790 0.434140
H 2.919887 -1.350556 -1.568387
H 4.267335 -1.319419 -0.386020
H 3.761460 -0.160870 1.904015
H 2.130735 0.534482 2.120248
H -1.921153 -2.059933 1.940875
H -1.097794 -2.348132 0.355494
H -1.511586 -0.840758 -1.583615
H -3.642864 -0.258276 2.151835
H -3.134554 0.690196 -2.746655
H -5.257665 1.274128 1.002039
H -5.006768 1.756104 -1.451810


