%chk=000250314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250314

0 1
S -1.521700 -2.758845 0.063778
O 0.704584 1.423574 0.352662
O 1.812569 -2.071152 -1.534951
O -2.288258 -2.408897 -1.119674
O -2.192148 -2.989792 1.320672
N -0.443096 -1.437555 0.352900
C 0.013244 -0.666446 -0.816180
C -0.165763 0.859247 -0.694816
C 1.511210 -1.051246 -0.951877
C -1.552351 1.321579 -0.316212
C 2.458853 -0.150008 -0.290483
C 2.009019 1.011454 0.363481
C -2.685211 0.675399 -0.830927
C -1.705950 2.439500 0.517971
C 3.833209 -0.462292 -0.224914
C 2.881357 1.835087 1.104896
C -0.449916 -4.064750 -0.317990
C 4.707069 0.349412 0.486849
C 4.225208 1.489721 1.159161
C -3.960909 1.146273 -0.508268
C -2.984094 2.902676 0.839654
C -4.113739 2.258258 0.325721
H -0.523549 -0.995914 -1.757349
H 0.162036 1.356086 -1.642386
H -0.557958 -0.861625 1.197763
H -2.593629 -0.209624 -1.472200
H -0.824613 2.942756 0.920683
H 4.189023 -1.359527 -0.740712
H 2.490068 2.714437 1.611330
H -0.070650 -4.598666 0.566590
H 0.460189 -3.740508 -0.869833
H -0.907929 -4.830700 -0.962305
H 5.766461 0.105920 0.534003
H 4.921311 2.111888 1.725731
H -4.837978 0.635180 -0.905889
H -3.098801 3.767022 1.491756
H -5.109868 2.619277 0.576466


%chk=000250314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250314

0 1
S -1.595471 -2.857011 -0.103544
O 0.735058 1.396567 0.556152
O 1.823872 -2.088039 -1.505556
O -2.148993 -2.545267 -1.612968
O -2.617593 -3.097121 1.134659
N -0.443874 -1.454709 0.430741
C 0.029350 -0.637110 -0.719244
C -0.154994 0.883883 -0.531082
C 1.519453 -1.006798 -0.916948
C -1.571620 1.355230 -0.218289
C 2.509675 -0.104328 -0.300643
C 2.079208 1.029307 0.452715
C -2.693500 0.698068 -0.787330
C -1.776418 2.499248 0.593864
C 3.900085 -0.405598 -0.355600
C 3.012452 1.819727 1.162272
C -0.340102 -4.271320 -0.237113
C 4.832813 0.387632 0.328752
C 4.380646 1.496597 1.096901
C -3.997780 1.184225 -0.546602
C -3.082694 2.979308 0.832907
C -4.198456 2.325962 0.261233
H -0.515340 -0.941368 -1.639984
H 0.206517 1.360294 -1.470213
H -0.993362 -0.913816 1.127643
H -2.573249 -0.199064 -1.406160
H -0.913369 2.999115 1.041423
H 4.206896 -1.283269 -0.934313
H 2.652334 2.675320 1.740966
H 0.018384 -4.446436 0.785668
H 0.451618 -3.896056 -0.903756
H -0.895044 -5.124098 -0.652089
H 5.900593 0.152458 0.282251
H 5.104107 2.114169 1.640406
H -4.854149 0.660899 -0.984961
H -3.227956 3.862329 1.465135
H -5.211798 2.698269 0.447805


