%chk=000267102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267102

0 1
S -3.747588 1.379458 0.000748
O 2.068014 -2.732634 0.000328
O 4.085717 1.426422 0.000701
N 1.784782 1.411539 0.000292
N 3.079892 -0.659920 0.000294
N -0.633099 -1.230554 0.000216
N -0.699495 1.066451 0.000287
C 0.695709 -0.776795 0.000257
C 0.624391 0.644402 0.000238
C 1.930479 -1.526355 0.000356
C -1.446607 -0.095628 0.000234
C 3.063836 0.767586 0.000004
C 1.703401 2.892150 0.000466
C -2.882184 -0.127355 0.000256
C 4.432732 -1.283246 0.000621
C -3.757383 -1.185977 -0.000038
C -5.131544 -0.767342 0.000089
C -5.283373 0.591509 0.000411
H -0.898722 -2.200243 0.000186
H 1.161258 3.244842 -0.895188
H 2.720540 3.329485 0.000428
H 1.161402 3.244650 0.896287
H 4.340159 -2.386217 0.000300
H 4.998858 -0.972627 0.895709
H 4.999488 -0.972144 -0.893905
H -3.478394 -2.229943 -0.000319
H -5.945630 -1.480662 -0.000109
H -6.205039 1.151248 0.000552


%chk=000267102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267102

0 1
S -3.768093 1.473903 0.000382
O 2.044912 -2.796359 0.000315
O 4.136957 1.441014 0.000381
N 1.789298 1.401172 0.000612
N 3.077850 -0.649890 0.000560
N -0.618207 -1.207155 0.000336
N -0.664336 1.073138 0.000291
C 0.711390 -0.780054 0.000425
C 0.644311 0.622861 0.000481
C 1.936185 -1.530836 0.000437
C -1.423585 -0.070197 0.000319
C 3.062909 0.775782 0.000868
C 1.696923 2.873850 0.000490
C -2.866607 -0.092394 0.000248
C 4.423382 -1.268853 0.000377
C -3.744266 -1.179462 0.000068
C -5.129386 -0.799002 0.000054
C -5.317547 0.576920 0.000219
H -0.911491 -2.183457 0.000316
H 1.154166 3.218541 -0.895485
H 2.722296 3.270686 0.000666
H 1.153825 3.218653 0.896214
H 4.281552 -2.359513 -0.000161
H 4.986250 -0.952066 0.893523
H 4.986408 -0.951158 -0.892340
H -3.418045 -2.223883 -0.000067
H -5.953501 -1.515875 -0.000074
H -6.251949 1.135735 0.000246


