%chk=000191172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191172

0 1
S 4.235686 -0.815798 0.420451
O 5.051094 -1.550648 1.363928
O 4.832265 -0.241867 -0.758231
O -4.886349 -0.008621 1.470584
O 1.147624 2.634974 0.210584
N -1.163973 1.066091 -1.455367
N -0.966002 -3.316672 -0.784812
N -2.887074 -0.973791 -0.394897
N -1.912760 2.540635 0.277666
N 3.737496 0.518900 1.462209
N -3.823276 2.007759 1.653485
N -2.636560 4.076594 1.969554
N 1.926474 1.466279 0.125898
C -2.140338 -1.232022 -1.425385
C -1.473504 -0.149435 -2.262853
C -1.861052 -2.676083 -1.785770
C -2.016965 1.293176 -0.362120
C -2.967170 0.355413 0.053238
C 0.304369 -2.774641 -0.543079
C 2.801310 -1.626247 0.043516
C 1.010961 -2.052696 -1.538253
C 0.919708 -3.003072 0.719784
C 2.233878 -1.476316 -1.232940
C 2.149505 -2.431014 0.996347
C -3.979213 0.676841 1.081777
C -2.865954 2.822446 1.312378
C 2.799163 1.492953 1.169444
C 2.574130 2.698570 1.967680
C 1.556506 3.361010 1.343553
C 0.816741 4.602717 1.579544
H -0.544425 -0.510717 -2.758104
H -2.178696 0.160425 -3.075049
H -1.413585 -2.766157 -2.800613
H -2.817206 -3.257032 -1.812734
H -0.159726 1.256850 -1.312822
H -1.478436 -3.635793 0.046160
H 0.596035 -1.946640 -2.538226
H 0.418576 -3.610853 1.470186
H 2.762277 -0.885886 -1.994311
H 2.616211 -2.598625 1.974336
H -1.110820 3.149848 0.098000
H 4.277069 0.680502 2.326677
H 3.117834 2.971775 2.848762
H -2.793205 4.883965 1.367280
H -3.213378 4.171591 2.813988
H 1.417565 5.330351 2.152353
H 0.515435 5.100382 0.644499
H -0.103048 4.418282 2.171607


%chk=000191172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191172

0 1
S 4.016873 -0.687900 0.738182
O 4.907043 -1.431212 1.874946
O 4.710856 0.029800 -0.545406
O -5.511458 -0.071146 0.587861
O 1.047381 3.104612 0.323087
N -1.025599 0.754670 -1.012404
N -1.051986 -3.348767 -1.068427
N -3.135410 -1.071099 -0.834131
N -1.957926 1.998311 0.800532
N 3.149082 0.660001 1.899518
N -4.172238 1.544783 1.640382
N -2.831441 3.180219 2.654790
N 1.438988 1.696543 0.562526
C -2.199349 -1.248698 -1.745314
C -1.376575 -0.031877 -2.212386
C -1.850988 -2.679912 -2.140054
C -2.076078 0.990117 -0.154137
C -3.228483 0.176049 -0.188571
C 0.203073 -2.887073 -0.691464
C 2.583834 -1.682034 0.162524
C 1.075571 -2.249212 -1.631451
C 0.635980 -3.012520 0.670128
C 2.253990 -1.622541 -1.205166
C 1.818915 -2.400484 1.105487
C -4.394588 0.513255 0.666729
C -3.026459 2.199528 1.692585
C 2.528438 1.792877 1.384408
C 2.852938 3.174754 1.691045
C 1.924630 3.950557 1.031727
C 1.694699 5.419493 0.887228
H -0.459103 -0.311768 -2.747645
H -2.000937 0.592322 -2.887954
H -1.306071 -2.725191 -3.098273
H -2.782537 -3.258412 -2.252502
H -0.052468 0.902193 -0.699970
H -1.634523 -3.710065 -0.307530
H 0.818916 -2.237223 -2.694062
H 0.003310 -3.541590 1.391879
H 2.904546 -1.090674 -1.906576
H 2.122598 -2.450016 2.155473
H -1.141834 2.617712 0.765296
H 3.882776 0.847208 2.602187
H 3.681211 3.519688 2.305034
H -1.909152 3.529548 2.902744
H -3.613372 3.336102 3.287327
H 2.437637 5.978773 1.476939
H 1.784733 5.728533 -0.169484
H 0.685755 5.709467 1.232248


