%chk=000281613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281613

0 1
S 1.885932 2.042955 -0.311707
O 1.895702 2.459040 -1.693581
O 2.791107 2.628365 0.653593
O -0.911979 0.560634 1.828104
N 0.310479 2.496589 0.348475
N -0.722027 1.681578 -0.163881
N -3.282046 -0.780310 1.007400
C 1.972853 0.327515 -0.230818
C 1.701972 -0.441887 -1.368897
C 2.328150 -0.304998 0.966739
C 2.128528 -2.470373 -0.109271
C 1.776994 -1.832816 -1.312510
C 2.406735 -1.695733 1.030674
C -2.588077 0.138479 0.201619
C -1.386513 0.793558 0.722753
C 2.224983 -3.957729 -0.047957
C -3.261509 0.221889 -1.030355
C -4.369130 -1.261000 0.300171
C -4.372093 -0.650519 -0.966905
H 1.435698 0.051522 -2.311369
H 2.551830 0.291029 1.858785
H 0.264620 2.604934 1.385237
H 1.565945 -2.423824 -2.201442
H 2.682998 -2.179606 1.965622
H -1.270885 2.190527 -0.874401
H 1.994959 -4.354186 0.950897
H 1.545322 -4.454290 -0.754394
H 3.245534 -4.290158 -0.297337
H -3.000720 -1.025347 1.942995
H -2.983619 0.829797 -1.869585
H -5.062110 -1.978972 0.704301
H -5.090633 -0.818564 -1.745153


%chk=000281613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281613

0 1
S 1.129750 1.280354 -0.245668
O -0.058846 1.064854 -1.373716
O 2.280644 2.420215 -0.483367
O -1.768843 -0.561702 1.014466
N -0.279990 1.751886 1.503507
N -1.481558 1.743569 0.860341
N -4.181208 -0.454017 -0.470934
C 2.045321 -0.364729 -0.021772
C 1.300808 -1.544652 0.138834
C 3.449388 -0.328285 -0.023278
C 3.437243 -2.776364 0.285439
C 2.016746 -2.753250 0.292464
C 4.138569 -1.551140 0.129663
C -3.422405 0.692607 -0.213242
C -2.198883 0.550526 0.556456
C 4.191267 -4.086977 0.419416
C -4.084678 1.781518 -0.829445
C -5.290611 -0.123477 -1.222778
C -5.256502 1.267398 -1.459881
H 0.204760 -1.525835 0.154852
H 3.972667 0.625354 -0.149435
H -0.200143 0.802659 1.955358
H 1.461711 -3.689493 0.422854
H 5.234835 -1.551865 0.128234
H -1.740430 2.626739 0.414991
H 5.158423 -3.948532 0.933281
H 3.607562 -4.836452 0.981383
H 4.408178 -4.518215 -0.577183
H -3.900337 -1.377107 -0.136688
H -3.757543 2.820783 -0.839089
H -6.014950 -0.871153 -1.538789
H -5.991946 1.832885 -2.028473


