%chk=000295671.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295671

0 1
S 0.298557 -4.056789 -0.221742
O -3.942212 0.895865 0.017832
O -2.135990 2.237274 0.182814
N 0.314338 1.012850 0.074113
N 0.264620 -1.376164 -0.083358
N -1.866370 -2.559604 -0.172886
C 1.746098 1.162900 0.104462
C -0.402960 -0.157111 -0.012001
C 4.001997 0.541797 -0.518724
C 2.619449 0.294407 -0.558704
C -1.840865 -0.137621 -0.017931
C 2.236126 2.288365 0.801119
C 4.494836 1.656185 0.174609
C 3.609816 2.520718 0.827089
C 4.932216 -0.387680 -1.228488
C -2.514053 -1.382791 -0.106584
C -2.588847 1.106324 0.070475
C -0.485983 -2.495049 -0.152422
C -4.797357 2.094909 0.102745
C -6.199596 1.534983 0.021003
C 2.055104 -3.670193 -0.175620
H -0.236604 1.898203 0.180657
H 2.239013 -0.572621 -1.100634
H 1.558478 2.964767 1.317573
H 5.563682 1.852400 0.206802
H 3.998452 3.386311 1.364604
H 5.988860 -0.133023 -1.074089
H 4.797606 -1.424927 -0.890373
H 4.752925 -0.373707 -2.313957
H -3.616711 -1.412098 -0.121104
H -4.572414 2.596637 1.059564
H -4.530193 2.753671 -0.741398
H -6.948950 2.334572 0.070488
H -6.358491 0.980969 -0.914918
H -6.401612 0.831770 0.841170
H 2.306034 -2.970023 0.636415
H 2.397735 -3.215326 -1.113537
H 2.602564 -4.607050 -0.010563


%chk=000295671-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295671

0 1
S 0.248746 -4.198240 -0.718479
O -3.965613 0.865511 0.138151
O -2.039660 2.166289 0.269884
N 0.312716 0.883435 0.013967
N 0.236971 -1.482243 -0.324141
N -1.907187 -2.658149 -0.432288
C 1.709800 1.146669 0.003411
C -0.401960 -0.277831 -0.131374
C 4.084944 0.521867 -0.159917
C 2.714286 0.160335 -0.161630
C -1.856208 -0.233634 -0.081889
C 2.083733 2.510346 0.174333
C 4.445027 1.881114 0.010691
C 3.443773 2.867254 0.176569
C 5.147670 -0.549058 -0.346336
C -2.533897 -1.469208 -0.241398
C -2.586809 1.023530 0.120953
C -0.533666 -2.585422 -0.461523
C -4.772751 2.110470 0.341070
C -6.237508 1.689016 0.312109
C 2.066901 -3.728069 -0.704846
H -0.308507 1.707114 0.151525
H 2.409011 -0.878618 -0.290151
H 1.309538 3.276526 0.303322
H 5.502900 2.167875 0.014402
H 3.726493 3.917371 0.308843
H 6.164348 -0.131083 -0.249878
H 5.040856 -1.356213 0.402408
H 5.070803 -1.019119 -1.345284
H -3.626810 -1.490103 -0.213311
H -4.476826 2.559268 1.306235
H -4.517152 2.822229 -0.464222
H -6.881251 2.575100 0.460061
H -6.497807 1.229008 -0.656301
H -6.456370 0.963612 1.114030
H 2.330308 -3.281776 0.264780
H 2.276129 -3.020163 -1.519581
H 2.614331 -4.670910 -0.859694


