%chk=000268133.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268133

0 1
S 5.458662 -0.291875 0.926352
O -1.400368 -1.969687 0.677214
O -1.583813 -1.364406 -1.501461
N -0.208818 1.080572 -0.273506
C -1.358824 0.348136 0.288865
C -2.626923 1.140039 0.038707
C 1.117095 0.656182 -0.021354
C -1.470750 -1.058302 -0.340508
C -3.172912 1.895365 1.086395
C -3.239738 1.145435 -1.222464
C 2.154404 1.283008 -0.755848
C 1.430575 -0.296344 0.971435
C -4.331937 2.646612 0.871972
C -4.397983 1.898440 -1.430318
C 3.481165 0.972582 -0.473761
C 2.766188 -0.595804 1.240221
C -4.945464 2.649211 -0.384837
C 3.782793 0.035611 0.520874
C -1.418087 -3.396938 0.342226
C -0.064712 -3.809302 -0.194562
C 5.908379 -1.596623 -0.247271
H -1.196582 0.218599 1.401088
H -0.388549 1.504335 -1.186121
H -2.694416 1.905056 2.065300
H -2.821408 0.550039 -2.039493
H 1.919837 2.014222 -1.524856
H 0.644329 -0.803476 1.528368
H -4.755839 3.232572 1.686457
H -4.874847 1.898330 -2.409819
H 4.282556 1.463370 -1.030194
H 3.009188 -1.325820 2.015339
H -5.848454 3.235304 -0.549230
H -1.653004 -3.836454 1.328793
H -2.237373 -3.575826 -0.375992
H 0.016953 -4.898569 -0.287505
H 0.118242 -3.377838 -1.190787
H 0.750567 -3.465622 0.456359
H 5.810411 -1.259983 -1.283960
H 5.296550 -2.493252 -0.109444
H 6.957906 -1.858901 -0.064175


%chk=000268133-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268133

0 1
S 5.742464 -0.162037 0.868282
O -1.687054 -2.013767 0.713194
O -1.254123 -1.426039 -1.507374
N -0.123079 1.040716 -0.286841
C -1.259167 0.320619 0.281893
C -2.556145 1.093127 0.021331
C 1.214358 0.727750 -0.027540
C -1.382462 -1.112463 -0.304493
C -3.240580 1.715446 1.092842
C -3.063183 1.220420 -1.298097
C 2.246415 1.501344 -0.638587
C 1.587560 -0.331323 0.852680
C -4.416304 2.461370 0.852102
C -4.235759 1.970868 -1.537748
C 3.600367 1.225177 -0.377921
C 2.949593 -0.595420 1.107851
C -4.914858 2.593514 -0.464539
C 3.967291 0.171293 0.496068
C -1.883531 -3.444465 0.308886
C -0.543986 -4.185042 0.288999
C 6.150132 -1.357117 -0.545521
H -1.126357 0.204199 1.373909
H -0.331278 1.754284 -0.984461
H -2.851436 1.619391 2.113267
H -2.553945 0.713101 -2.126145
H 1.978481 2.324771 -1.312418
H 0.826293 -0.951046 1.337263
H -4.939499 2.938966 1.687819
H -4.623126 2.063028 -2.558500
H 4.381712 1.834600 -0.844890
H 3.226508 -1.405146 1.791804
H -5.825896 3.172766 -0.651592
H -2.567725 -3.837837 1.077297
H -2.369236 -3.461585 -0.682572
H -0.714725 -5.254944 0.067580
H 0.120729 -3.773982 -0.489066
H -0.038005 -4.112619 1.267286
H 5.989703 -0.860373 -1.514697
H 5.522163 -2.257930 -0.468481
H 7.212689 -1.625617 -0.430368


