%chk=000197796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197796

0 1
S -4.746038 -0.287842 -0.281606
O -0.921759 -1.760812 0.593413
O 3.585485 -1.247962 -0.279074
N -1.119972 1.331604 0.462899
N 2.347215 0.688577 -0.165155
N 1.324327 -1.507616 0.148066
N 0.735492 2.603280 0.033499
C -0.042605 0.443207 0.296787
C 1.093843 1.261005 0.037766
C -2.515034 0.907773 0.701306
C 0.001437 -0.997790 0.371562
C -0.615099 2.612259 0.285873
C 2.497738 -0.730905 -0.111556
C -3.238536 0.662240 -0.619941
C 3.527270 1.547343 -0.429255
C 1.520583 -2.983951 0.175530
C -4.125472 -1.977404 -0.162850
H -2.486399 -0.031852 1.319291
H -3.036722 1.679034 1.313100
H -1.208173 3.516798 0.350276
H -3.542671 1.606428 -1.111597
H -2.595327 0.125582 -1.346441
H 4.432271 0.923261 -0.559036
H 3.689029 2.243374 0.413495
H 3.367520 2.143316 -1.345756
H 0.688676 -3.464213 0.723515
H 2.474139 -3.237343 0.673479
H 1.547495 -3.386595 -0.851263
H -3.119541 -2.032505 0.287595
H -4.077463 -2.455264 -1.147559
H -4.808210 -2.556127 0.472138


%chk=000197796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197796

0 1
S -4.888735 -0.187448 -0.357006
O -0.918559 -1.807581 0.450121
O 3.696792 -1.221365 -0.324719
N -1.075900 1.314844 0.446662
N 2.388673 0.718496 -0.137502
N 1.398301 -1.479873 0.060832
N 0.793669 2.597366 0.115234
C 0.000197 0.429365 0.262706
C 1.125114 1.249544 0.066978
C -2.494017 0.931288 0.638308
C 0.059102 -1.008846 0.277366
C -0.547860 2.591019 0.343479
C 2.567344 -0.684902 -0.145268
C -3.161451 0.498947 -0.684449
C 3.550339 1.606499 -0.343091
C 1.624019 -2.944250 0.049129
C -4.424139 -1.987099 0.006354
H -2.528459 0.096271 1.356736
H -3.028112 1.791545 1.076934
H -1.157490 3.485945 0.444175
H -3.284817 1.347799 -1.377133
H -2.571805 -0.289873 -1.178207
H 4.435148 0.969272 -0.484037
H 3.685593 2.260193 0.534577
H 3.388743 2.238836 -1.231883
H 0.648236 -3.428059 0.199530
H 2.323078 -3.225144 0.853702
H 2.065786 -3.249239 -0.913240
H -3.440473 -2.026792 0.499905
H -4.394466 -2.560373 -0.932617
H -5.200353 -2.389486 0.674926


