%chk=000217675.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217675

0 1
S -2.927504 1.260382 -0.402936
O -2.342670 -3.644862 -0.495144
N 0.283419 -2.053887 0.759462
N -2.615608 -1.366070 -0.219584
C -0.583343 0.114213 0.004205
C 0.438969 -0.772233 0.280458
C -1.475524 2.278164 -0.394021
C -1.983548 -0.233032 -0.146598
C -0.363121 1.549821 -0.187770
C 1.866495 -0.385295 0.079452
C -1.640918 3.735094 -0.606614
C -0.992909 -2.615785 1.215950
C -2.035702 -2.618358 0.055405
C 2.719117 -0.232096 1.182010
C 2.344606 -0.172687 -1.222002
C -2.149862 4.440075 0.651453
C 4.053396 0.130100 0.978423
C 3.681159 0.184627 -1.416997
C 4.534968 0.335488 -0.318916
H 0.641635 1.953663 -0.143860
H 1.061716 -2.707246 0.695009
H -0.672571 4.185287 -0.919767
H -2.335910 3.927773 -1.454255
H -1.393944 -2.034852 2.079139
H -0.843327 -3.657965 1.575439
H 2.340278 -0.384143 2.192663
H 1.671846 -0.280759 -2.074790
H -2.227536 5.521424 0.494456
H -1.480048 4.272669 1.503545
H -3.142639 4.076692 0.946093
H 4.718433 0.254304 1.832619
H 4.057031 0.348325 -2.426921
H 5.576714 0.615967 -0.474504


%chk=000217675-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217675

0 1
S -2.947189 1.221058 -0.590785
O -2.291974 -3.789267 -0.098780
N 0.283098 -1.948218 0.893777
N -2.467813 -1.449732 -0.329326
C -0.524879 0.179105 0.017007
C 0.530420 -0.715307 0.331637
C -1.497443 2.326958 -0.427211
C -1.902730 -0.256855 -0.223815
C -0.357500 1.620980 -0.132082
C 1.964603 -0.402294 0.091306
C -1.672338 3.812115 -0.601549
C -1.008386 -2.361968 1.445609
C -1.997824 -2.612373 0.254459
C 2.960377 -0.817964 1.019796
C 2.369930 0.265308 -1.097867
C -2.623442 4.458867 0.440226
C 4.326392 -0.570788 0.764976
C 3.734855 0.510351 -1.349471
C 4.718274 0.093132 -0.420474
H 0.604130 2.114640 0.031059
H 1.011544 -2.661777 0.804432
H -0.673332 4.284476 -0.534044
H -2.055600 4.027914 -1.619374
H -1.394308 -1.558801 2.100096
H -0.878658 -3.294941 2.013694
H 2.659003 -1.296446 1.959124
H 1.611572 0.562437 -1.829634
H -2.704497 5.546808 0.264624
H -2.250076 4.297450 1.466806
H -3.637624 4.025462 0.376498
H 5.081860 -0.885288 1.493079
H 4.034143 1.015597 -2.273947
H 5.778511 0.284159 -0.618744


