%chk=000269741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269741

0 1
S 4.016655 -0.672484 -0.830086
N 0.823988 1.780878 0.037828
N -0.226386 2.558353 -0.186508
C 1.963047 -0.352915 0.431964
C 3.290153 0.436072 0.442649
C 2.304216 -1.327586 -0.718540
C 0.710346 0.449240 0.179199
C -0.584310 -0.198303 0.109814
C -1.704325 0.636641 -0.138097
C -0.794914 -1.598771 0.281583
C -3.010232 0.070680 -0.226078
C -1.457602 2.047152 -0.284838
C -2.062322 -2.124480 0.195487
C -3.181905 -1.282985 -0.063776
H 1.828924 -0.895229 1.401049
H 3.217513 1.484099 0.104426
H 3.823933 0.422836 1.399181
H 2.263228 -2.390243 -0.455262
H 1.730320 -1.171519 -1.641998
H 0.058755 -2.245255 0.484457
H -3.857466 0.727917 -0.421706
H -2.282061 2.741604 -0.479047
H -2.230829 -3.194097 0.325314
H -4.173225 -1.732706 -0.128613


%chk=000269741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269741

0 1
S 4.281151 -0.894828 -0.441360
N 0.857920 1.755567 -0.065452
N -0.253450 2.585780 -0.309991
C 1.954701 -0.380169 0.362234
C 3.275755 0.416673 0.555070
C 2.438388 -1.241671 -0.857226
C 0.688676 0.426557 0.134858
C -0.612736 -0.215623 0.116758
C -1.748105 0.633593 -0.134444
C -0.827815 -1.613546 0.330776
C -3.064594 0.079739 -0.166066
C -1.480591 2.030676 -0.340822
C -2.125281 -2.137724 0.295649
C -3.249184 -1.290263 0.045764
H 1.810500 -1.052728 1.228755
H 3.268786 1.380424 0.030277
H 3.625401 0.527446 1.591197
H 2.183875 -2.312113 -0.839479
H 2.182954 -0.793277 -1.830080
H 0.021151 -2.276243 0.524642
H -3.919578 0.738512 -0.357034
H -2.300125 2.732093 -0.539201
H -2.286680 -3.208427 0.461062
H -4.255619 -1.721549 0.022515


