%chk=000274746.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274746

0 1
S -5.766724 0.420032 -0.846649
O 3.537413 0.350308 -1.281480
O 4.544876 1.808575 1.413134
O 5.328627 -0.572668 1.306616
O 3.392829 -2.629354 -2.141920
N 1.527637 1.326343 -0.524534
N -0.534776 1.837365 -1.421812
N 0.776438 -0.448744 1.097958
N -1.649263 -0.792142 1.048703
N -3.086069 0.448722 -0.442204
C 3.474298 0.961275 1.045250
C 2.999848 1.330758 -0.391265
C 3.946418 -0.517920 0.931937
C 3.925661 -0.865003 -0.570811
C 2.944413 -1.980950 -0.949716
C 0.595085 0.498558 0.117448
C 0.770960 2.106025 -1.470797
C -0.685722 0.840069 -0.441904
C -1.832854 0.151556 0.064694
C -0.380523 -1.037404 1.504995
C -4.293867 -0.142774 -0.041664
C -4.592507 -1.104909 0.879205
C -6.007261 -1.394214 0.941742
C -6.767241 -0.665011 0.084287
H 2.706278 1.135094 1.831089
H 3.404353 2.306075 -0.758215
H 3.346104 -1.203562 1.563531
H 4.952026 -1.078083 -0.959980
H 1.918688 -1.595602 -1.093709
H 2.936805 -2.802654 -0.206853
H 5.400266 1.485837 1.006441
H 5.416890 -0.505144 2.286225
H 1.254785 2.823204 -2.122067
H 3.336377 -2.010131 -2.903560
H -0.298771 -1.805927 2.294211
H -3.123054 1.169186 -1.178700
H -3.869884 -1.614800 1.509370
H -6.392221 -2.138651 1.629069
H -7.832737 -0.691031 -0.062264


%chk=000274746-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274746

0 1
S -5.937264 0.741589 -0.645427
O 3.334526 0.085337 -1.385425
O 4.665780 1.929073 0.857190
O 5.151520 -0.544244 1.675610
O 3.937408 -2.565607 -2.294262
N 1.386386 1.274822 -0.615868
N -0.704595 1.938838 -1.306279
N 0.707690 -0.614436 0.884265
N -1.738716 -0.894471 0.952949
N -3.199261 0.540898 -0.317589
C 3.477353 1.086498 0.820791
C 2.856072 1.225722 -0.590325
C 3.891091 -0.417015 0.922610
C 4.148851 -0.839757 -0.537001
C 3.708621 -2.264762 -0.880789
C 0.472441 0.419937 0.019547
C 0.618514 2.153943 -1.402195
C -0.805249 0.854079 -0.418557
C -1.939397 0.150372 0.085061
C -0.451870 -1.209521 1.296122
C -4.435663 -0.012042 0.051207
C -4.741025 -1.078192 0.888960
C -6.159539 -1.317145 0.993669
C -6.944001 -0.452592 0.251004
H 2.768861 1.384504 1.616018
H 3.218764 2.160580 -1.051762
H 3.068330 -0.997181 1.374184
H 5.214445 -0.689551 -0.793843
H 2.640178 -2.393020 -0.606295
H 4.322551 -2.990966 -0.320857
H 5.382815 1.379026 1.286418
H 4.963651 -0.809766 2.609375
H 1.083548 2.921920 -2.016937
H 3.474217 -1.867213 -2.825109
H -0.342200 -2.048707 1.989438
H -3.196989 1.333240 -0.968652
H -3.965621 -1.650923 1.395793
H -6.583023 -2.115578 1.607982
H -8.025599 -0.405384 0.144780


