%chk=000225367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225367

0 1
S 1.666097 -0.608340 -1.888071
S -1.787170 0.904575 1.922746
O 2.297077 -1.004350 -3.136203
O 0.347461 -0.000626 -1.917150
O -2.421710 1.500020 3.086354
O -0.509916 1.420488 1.462387
N 1.532642 -2.139334 -1.080297
N -1.534295 -0.724353 2.465047
N 5.432939 2.545597 1.357468
N -5.659753 0.494753 -2.494092
C 0.782045 -2.426635 0.081400
C -0.719499 -1.705361 1.855382
C 0.835602 -3.732195 0.651459
C 0.001730 -1.424585 0.681432
C -0.655586 -2.989311 2.436805
C 0.114516 -3.976221 1.822357
C 2.736358 0.310164 -0.949306
C -2.889399 0.790767 0.640653
C 1.644583 -4.827272 0.032923
C 4.111426 0.291372 -1.244219
C 2.271504 1.108045 0.113357
C -4.267487 0.908278 0.895323
C -2.448073 0.597219 -0.682062
C 5.014363 1.037289 -0.504377
C 3.151852 1.863619 0.871736
C 4.537493 1.830843 0.574357
C -5.195794 0.830928 -0.130145
C -3.353832 0.514562 -1.727880
C -4.741847 0.624198 -1.461180
H -0.048715 -0.427473 0.237191
H 1.957246 -2.953296 -1.547420
H -1.923740 -0.986077 3.381665
H -1.199995 -3.216107 3.345924
H 0.152228 -4.968995 2.274810
H 1.562122 -5.767477 0.594661
H 1.313118 -5.045973 -0.991784
H 2.712982 -4.571204 0.004774
H 4.475479 -0.317134 -2.082105
H 1.191420 1.145288 0.354247
H -4.614273 1.074454 1.923435
H -1.366546 0.512637 -0.904019
H 6.072693 1.011662 -0.742101
H 2.770317 2.466807 1.693157
H -6.256170 0.921248 0.081348
H -2.989913 0.357274 -2.741206
H 5.100760 3.201260 2.042905
H 6.393946 2.639304 1.083019
H -6.631115 0.700370 -2.346299
H -5.351473 0.470303 -3.450306


%chk=000225367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225367

0 1
S 1.371744 -0.940199 -2.152910
S -2.138542 0.411779 1.962972
O 2.119985 -1.264282 -3.559820
O -0.064061 -0.183073 -2.080718
O -2.873318 0.877064 3.346071
O -0.617469 0.888794 1.600360
N 1.033978 -2.730403 -1.419042
N -2.157811 -1.612488 2.067522
N 5.282641 1.962576 1.446412
N -5.770682 1.741686 -2.680327
C 0.711380 -2.773782 -0.035777
C -0.910298 -2.199669 1.725446
C 1.584374 -3.373955 0.934499
C -0.535086 -2.229458 0.359060
C -0.046707 -2.789423 2.693112
C 1.155684 -3.399815 2.283093
C 2.564407 -0.041484 -1.032109
C -3.240710 0.823459 0.528756
C 2.923141 -3.959916 0.528142
C 3.929370 -0.052488 -1.383026
C 2.070546 0.609176 0.116569
C -4.594234 1.101225 0.798594
C -2.698470 0.833501 -0.771483
C 4.838669 0.623797 -0.553212
C 2.990309 1.276023 0.943172
C 4.383300 1.295226 0.625030
C -5.439542 1.416983 -0.277594
C -3.553463 1.144096 -1.841147
C -4.933820 1.436935 -1.614579
H -1.212348 -1.842284 -0.406372
H 1.890768 -3.245938 -1.688159
H -2.382799 -1.710800 3.079513
H -0.322702 -2.771133 3.754441
H 1.801765 -3.869909 3.033757
H 3.463607 -4.347853 1.407283
H 2.815001 -4.800547 -0.185488
H 3.571074 -3.198923 0.049755
H 4.258611 -0.549282 -2.301825
H 1.004745 0.614777 0.375461
H -4.964406 1.090655 1.828683
H -1.641678 0.615882 -0.964748
H 5.902709 0.644528 -0.816073
H 2.621902 1.787455 1.839377
H -6.494501 1.647686 -0.089799
H -3.148016 1.155043 -2.858945
H 4.962391 2.453259 2.276731
H 6.273048 1.995852 1.221937
H -6.754207 1.948642 -2.531757
H -5.416582 1.752008 -3.632736


