%chk=000206973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206973

0 1
S -4.898743 1.478704 -0.852941
O 1.444141 -0.190909 -0.159489
O 1.722482 0.531106 -2.309756
O 2.589088 -3.821668 1.094661
O 0.984420 -2.508897 0.491051
N 3.312930 1.938810 -0.353241
N 2.155594 -2.734244 0.744978
C 3.728866 0.684089 0.068792
C 5.066629 0.413327 0.462117
C 2.755153 -0.383901 0.137963
C 3.121430 -1.633507 0.631176
C 5.417513 -0.887950 0.943456
C 4.474269 -1.873909 1.035206
C 6.011999 1.485865 0.368441
C -0.461155 0.635900 -1.206872
C 0.980555 0.401498 -1.383227
C 5.598236 2.717300 -0.069292
C -3.184832 1.093514 -0.939200
C -1.071748 1.660092 -1.954871
C -1.217544 -0.156594 -0.328316
C 4.217484 2.908409 -0.417480
C -2.438273 1.891764 -1.819456
C -2.589016 0.073537 -0.196058
C -5.588836 0.319745 0.282990
C -6.051826 -0.909037 -0.191972
C -5.729757 0.686689 1.622740
C -6.672926 -1.790111 0.699789
C -6.353480 -0.200650 2.506669
C -6.822880 -1.435615 2.045330
H 6.449884 -1.074928 1.239708
H 4.721750 -2.874976 1.411177
H 7.049559 1.300421 0.649290
H 6.287730 3.555826 -0.158216
H -0.472279 2.266564 -2.637990
H -0.724387 -0.955630 0.244151
H 3.869535 3.894169 -0.754571
H -2.914591 2.685491 -2.397056
H -3.173476 -0.546958 0.485552
H -5.934576 -1.182993 -1.241714
H -5.362010 1.649650 1.980500
H -7.039300 -2.752709 0.345301
H -6.472331 0.070894 3.554688
H -7.306981 -2.124877 2.737092


%chk=000206973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206973

0 1
S -5.013607 1.306339 -1.293269
O 1.475656 -0.521793 -0.172393
O 1.799025 0.497280 -2.273606
O 3.427771 -4.183081 -0.319072
O 1.467601 -3.190761 0.293697
N 2.957039 1.785923 0.216976
N 2.731115 -3.153848 0.049286
C 3.617035 0.571036 0.287599
C 5.029614 0.458835 0.569788
C 2.835667 -0.628450 0.088831
C 3.466556 -1.879283 0.219042
C 5.632829 -0.836676 0.669224
C 4.865254 -1.981832 0.499804
C 5.762135 1.677847 0.746176
C -0.428817 0.445458 -1.265042
C 1.025310 0.210558 -1.343444
C 5.094638 2.899793 0.653547
C -3.216987 0.928958 -1.222372
C -1.050434 1.148898 -2.333062
C -1.218758 -0.013871 -0.178818
C 3.684495 2.902463 0.397380
C -2.433114 1.391282 -2.314013
C -2.605183 0.226726 -0.155862
C -5.679114 0.411996 0.179496
C -5.976675 -0.967774 0.090291
C -5.950667 1.134135 1.363919
C -6.542543 -1.631069 1.203551
C -6.522956 0.465453 2.471799
C -6.817041 -0.915704 2.393213
H 6.703847 -0.917245 0.883727
H 5.299319 -2.982793 0.562087
H 6.837165 1.634320 0.953277
H 5.623126 3.849398 0.780055
H -0.434337 1.494948 -3.169443
H -0.740662 -0.564096 0.635588
H 3.136756 3.850087 0.340302
H -2.906199 1.930745 -3.141666
H -3.205628 -0.133042 0.684755
H -5.767741 -1.511367 -0.836624
H -5.716256 2.202083 1.415633
H -6.771352 -2.700173 1.138055
H -6.735790 1.023027 3.390265
H -7.259795 -1.431429 3.252422


