%chk=000243378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243378

0 1
S 2.473670 1.530871 0.405913
O 2.539323 1.908297 1.797503
O 3.474937 1.981288 -0.533468
O -0.331490 0.540404 -1.912367
N 1.007083 2.248694 -0.263503
N -0.158394 1.558045 0.126565
C 2.286155 -0.183666 0.305723
C 2.119977 -0.814084 -0.931220
C 2.334192 -0.945093 1.479507
C -2.189002 0.278153 -0.397397
C -0.858451 0.783591 -0.840071
C 2.003868 -2.206716 -0.995331
C 2.218414 -2.335731 1.417324
C 2.055075 -2.965869 0.177734
C -3.252062 0.324439 -1.311601
C -2.377122 -0.261864 0.882441
C -4.510123 -0.151440 -0.933733
C -3.637107 -0.740487 1.251212
C -4.702940 -0.681638 0.346491
H 1.030626 2.462550 -1.284238
H 2.064123 -0.228008 -1.855781
H 2.464408 -0.449765 2.449600
H -0.687863 2.094463 0.831170
H 1.870177 -2.695008 -1.960170
H 2.259131 -2.927803 2.330046
H 1.966818 -4.051954 0.127441
H -3.089574 0.723732 -2.315097
H -1.544145 -0.320206 1.584668
H -5.339373 -0.113492 -1.639684
H -3.788135 -1.161891 2.244567
H -5.685295 -1.053512 0.638755


%chk=000243378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243378

0 1
S 1.726578 0.877979 0.433532
O 0.399780 0.515773 1.358726
O 2.908426 1.827431 1.049147
O -1.128118 -0.367109 -1.598538
N 0.510685 1.865645 -1.276541
N -0.733059 1.747309 -0.741143
C 2.546881 -0.768079 -0.048898
C 3.940686 -0.854633 0.100970
C 1.737417 -1.811573 -0.527073
C -2.760594 0.534624 -0.005369
C -1.516520 0.551028 -0.816289
C 4.558787 -2.079871 -0.241779
C 2.377756 -3.027251 -0.864866
C 3.779958 -3.159131 -0.722000
C -3.901999 -0.133826 -0.520640
C -2.805459 1.131337 1.284277
C -5.094113 -0.167938 0.230492
C -4.000733 1.087309 2.032162
C -5.147579 0.448848 1.504042
H 0.604457 1.054676 -1.945033
H 4.507350 0.001332 0.482293
H 0.653364 -1.691333 -0.637284
H -1.019785 2.508111 -0.120126
H 5.643058 -2.187282 -0.132390
H 1.779443 -3.864154 -1.239574
H 4.266347 -4.104196 -0.987086
H -3.838446 -0.613601 -1.502910
H -1.893088 1.549838 1.725100
H -5.978426 -0.674048 -0.170899
H -4.032051 1.530815 3.032820
H -6.074100 0.418269 2.087876


