%chk=000198839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198839

0 1
S 2.564695 2.522407 1.346873
O -7.650327 -1.823873 -0.216599
O 2.770903 3.805463 2.006479
O 2.074491 1.418130 2.172411
N -1.299245 -0.360579 0.726497
N -4.154943 -0.839064 0.570677
N 1.820617 -1.774618 -0.105461
N 2.521211 -0.100290 -1.519500
N 3.616990 -2.328817 -1.715103
C -1.843360 -1.647866 0.182180
C -2.236668 0.195533 1.757649
C -3.217049 -1.382920 -0.466211
C -3.613161 0.450899 1.112038
C 0.064105 -0.556392 1.315011
C -5.530407 -0.655912 0.011664
C 1.062105 -0.629826 0.214979
C 1.509617 0.365553 -0.664367
C -6.294613 -1.975564 0.225262
C 1.013626 1.746345 -0.801182
C 2.731588 -1.394323 -1.199031
C 1.446315 2.776085 0.042272
C 1.843844 -3.066604 0.420195
C 0.090911 2.015297 -1.827563
C 2.729469 -3.957815 -0.123001
C 0.945221 4.071971 -0.140650
C 3.604358 -3.544891 -1.195841
C -0.398031 3.310349 -2.001135
C 0.028826 4.343354 -1.157297
C 4.065487 2.040167 0.603691
H -1.944372 -2.437923 0.957749
H -1.140146 -2.022218 -0.591994
H -1.819111 1.160031 2.122319
H -2.355149 -0.471352 2.639551
H -3.632137 -2.338546 -0.849749
H -3.092140 -0.700907 -1.336062
H -3.519926 1.240697 0.334852
H -4.314172 0.825614 1.888930
H 0.140590 -1.426641 2.001650
H 0.334513 0.344290 1.949119
H -5.546326 -0.362830 -1.058002
H -6.068010 0.153313 0.554625
H -6.405761 -2.215403 1.300508
H -5.827102 -2.827314 -0.294909
H 1.157900 -3.306252 1.238319
H -0.238484 1.205669 -2.478957
H 2.792147 -4.980902 0.243022
H 1.276964 4.881240 0.524630
H -7.688847 -1.696978 -1.182762
H 4.312483 -4.273491 -1.618166
H -1.113872 3.518754 -2.797021
H -0.352907 5.353536 -1.293271
H 4.835304 2.824982 0.648004
H 4.515343 1.157402 1.083182
H 3.985246 1.764826 -0.462406


%chk=000198839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198839

0 1
S 4.015680 2.684984 0.393805
O -7.645615 -2.682585 -1.025301
O 4.629400 4.178126 0.696629
O 4.013727 1.553452 1.573858
N -1.715040 -0.280316 0.826276
N -4.431843 -1.142889 0.300941
N 1.466492 -1.614870 0.405262
N 2.596240 -0.005369 -0.784000
N 3.455373 -2.291791 -0.881294
C -1.992639 -1.560132 0.127592
C -2.827140 0.063086 1.752264
C -3.326800 -1.474750 -0.630689
C -4.155234 0.144596 0.982792
C -0.400442 -0.270685 1.533411
C -5.771202 -1.201748 -0.327152
C 0.781158 -0.415505 0.619087
C 1.513373 0.553534 -0.109345
C -6.292440 -2.649348 -0.449602
C 1.206182 1.994619 -0.208338
C 2.592015 -1.321286 -0.478004
C 2.187758 3.015212 -0.144193
C 1.270148 -2.906467 0.862282
C -0.140165 2.416578 -0.404859
C 2.164015 -3.890569 0.456393
C 1.892881 4.378988 -0.286446
C 3.245274 -3.542948 -0.422387
C -0.459696 3.783032 -0.557249
C 0.552443 4.767891 -0.512787
C 4.959073 2.021642 -1.127688
H -2.045379 -2.414570 0.850600
H -1.177378 -1.758101 -0.591851
H -2.608010 1.041927 2.218791
H -2.930208 -0.696777 2.566581
H -3.529701 -2.448152 -1.111398
H -3.229988 -0.704579 -1.438463
H -4.097944 0.995142 0.256603
H -4.975141 0.355041 1.693450
H -0.362744 -1.057989 2.330158
H -0.316865 0.703096 2.050264
H -5.783146 -0.713378 -1.337887
H -6.484745 -0.642605 0.305285
H -6.396097 -3.093913 0.551880
H -5.596248 -3.279282 -1.042625
H 0.423145 -3.091045 1.526826
H -0.924241 1.648752 -0.438216
H 2.038521 -4.917546 0.805188
H 2.702108 5.109819 -0.172550
H -7.613889 -2.320967 -1.947237
H 3.954854 -4.307120 -0.755035
H -1.502963 4.077986 -0.715390
H 0.305256 5.827821 -0.632932
H 4.922604 2.823992 -1.877685
H 5.978830 1.843503 -0.757507
H 4.424996 1.106258 -1.420013


