%chk=000268622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268622

0 1
S -0.195727 1.688495 0.023357
O -3.115358 -0.929717 -0.277325
N -3.145660 1.188577 0.515511
N -4.562395 1.216932 0.597424
C 1.281209 -0.450848 0.015182
C -0.112062 -0.907675 0.024250
C 1.393291 0.958235 0.016917
C -0.999439 0.131286 0.049759
C 2.452763 -1.226875 0.004997
C -0.462926 -2.343622 0.012370
C 2.625998 1.609332 0.006875
C 3.688221 -0.585893 -0.003558
C 3.775308 0.820849 -0.002907
C -2.460730 0.048467 0.068427
H 2.387982 -2.313867 0.004157
H -1.556290 -2.499394 -0.103819
H 0.016742 -2.874971 -0.822884
H -0.162199 -2.844602 0.944111
H 2.689670 2.695901 0.006728
H 4.605098 -1.174448 -0.011354
H 4.757413 1.294228 -0.010279
H -2.715240 2.010550 0.941361
H -4.955289 1.151750 -0.353788
H -4.900880 0.374511 1.087590


%chk=000268622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268622

0 1
S -0.223489 1.777366 0.071144
O -3.160223 -1.030334 -0.183281
N -3.189202 1.192291 0.477418
N -4.605171 1.250391 0.537988
C 1.271558 -0.446388 0.019319
C -0.109285 -0.919552 0.026941
C 1.396972 0.977598 0.047743
C -1.029907 0.121417 0.067846
C 2.457529 -1.230876 -0.013567
C -0.444377 -2.392062 0.009713
C 2.649047 1.623989 0.040472
C 3.713351 -0.597625 -0.018395
C 3.809851 0.821701 0.008479
C -2.512187 0.029645 0.101213
H 2.386237 -2.323522 -0.035882
H -1.531452 -2.549580 0.032378
H -0.045246 -2.865243 -0.908019
H 0.021953 -2.904933 0.872528
H 2.725780 2.715638 0.059896
H 4.627876 -1.199701 -0.043696
H 4.795263 1.299977 0.004199
H -2.701804 2.020864 0.824555
H -5.006749 1.169082 -0.407320
H -4.966825 0.497056 1.141428


