%chk=000292269.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292269

0 1
S -5.623989 -0.806476 -0.411966
O 3.276517 -0.919310 -0.487089
O 5.364760 0.015819 -0.888139
O 3.137801 1.883263 -1.497976
N 0.660546 -0.951876 0.498821
N -0.677890 -1.071662 0.083249
N -2.624023 -2.064829 -0.634891
N -1.677127 1.071331 0.973466
N -4.108515 1.117952 0.694273
C 2.798108 0.222661 0.271873
C 3.549990 1.496759 -0.190683
C 1.304030 0.289240 -0.060900
C 5.067311 1.231707 -0.175176
C 4.689470 -1.154270 -0.427393
C 5.149999 -1.612110 0.942385
C -1.708190 -0.178164 0.397479
C -1.295711 -2.207518 -0.540201
C -2.922194 -0.820504 -0.071401
C -4.125990 -0.097920 0.117315
C -2.890615 1.650587 1.092558
C -6.873022 0.421305 0.003748
H 2.974123 0.021861 1.352783
H 3.272909 2.381336 0.428452
H 1.158041 0.421801 -1.157249
H 0.838440 1.180806 0.430750
H 5.618054 1.987926 -0.769989
H 5.482030 1.178716 0.843948
H 4.860369 -1.887335 -1.247884
H 1.195543 -1.784012 0.162606
H 6.230118 -1.814708 0.940573
H 4.964897 -0.876173 1.732045
H 4.637228 -2.536517 1.240416
H 3.409229 1.184113 -2.148155
H -0.723529 -3.061190 -0.877160
H -2.934354 2.652192 1.551256
H -7.850014 0.028154 -0.303373
H -6.695711 1.376718 -0.509132
H -6.896839 0.633226 1.081760


%chk=000292269-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292269

0 1
S -5.743758 -0.573552 -0.669035
O 3.320872 -1.040891 -0.352447
O 5.596735 -0.255789 -0.577862
O 3.672164 1.246459 -2.236621
N 0.631829 -0.707153 0.133380
N -0.723666 -0.830448 -0.235886
N -2.612356 -1.478527 -1.375489
N -1.775992 0.626318 1.491494
N -4.217857 0.712192 1.238226
C 2.814770 0.338074 -0.078853
C 3.743545 1.361614 -0.777390
C 1.378159 0.349803 -0.598470
C 5.191505 1.141160 -0.289818
C 4.720772 -1.243277 0.066399
C 4.888584 -1.302741 1.591507
C -1.796122 -0.206942 0.416368
C -1.273778 -1.562584 -1.308396
C -2.958223 -0.624273 -0.310501
C -4.200045 -0.119485 0.158533
C -3.027684 1.040225 1.839842
C -6.971567 0.379106 0.393398
H 2.806011 0.519185 1.015744
H 3.410614 2.390740 -0.553252
H 1.382158 0.208991 -1.699695
H 0.917071 1.327248 -0.371349
H 5.893060 1.760956 -0.868182
H 5.294795 1.372099 0.789749
H 5.004797 -2.199148 -0.400699
H 1.112092 -1.616726 0.103368
H 5.945778 -1.508387 1.831387
H 4.593121 -0.369730 2.099640
H 4.269599 -2.121866 1.995666
H 4.084153 0.374679 -2.477499
H -0.645782 -2.143887 -1.981901
H -3.096846 1.713226 2.699339
H -7.958210 0.171155 -0.048893
H -6.738993 1.452043 0.357900
H -6.919505 0.023035 1.431298


