%chk=000217966.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217966

0 1
S -2.193727 0.250996 -0.746337
O 0.081389 -2.803466 -1.388148
O 1.440053 -1.234032 1.473262
O -4.599962 -2.662861 1.167655
O -4.821967 -2.015597 -0.965921
N 0.111321 1.774201 -0.389826
N 0.290051 -0.555554 -0.898953
C -0.591213 3.042809 -0.138110
C 0.468583 4.124404 0.186281
C -1.541459 3.012350 1.084231
C -0.211618 5.108246 1.151326
C -1.488568 4.426887 1.684697
C -0.425145 0.648154 -0.623547
C -1.954181 -1.519637 -1.093660
C -0.446825 -1.745596 -1.144265
C -2.585193 -2.355126 0.004883
C 1.731265 -0.592099 -0.767295
C 2.335558 -0.949517 0.469886
C 2.537721 -0.269702 -1.862229
C -4.083037 -2.297293 -0.055083
C 3.729744 -0.989819 0.588955
C 3.931475 -0.310290 -1.737406
C 4.517192 -0.668414 -0.521705
C 1.975345 -1.635436 2.759316
H -1.162654 3.339234 -1.056856
H 0.827933 4.617965 -0.729680
H 1.359801 3.663488 0.654223
H -1.201537 2.265847 1.825254
H -2.567107 2.728265 0.800474
H 0.467648 5.376909 1.977740
H -0.461265 6.052805 0.638516
H -2.384069 5.005523 1.399034
H -1.486368 4.385550 2.786648
H -2.408992 -1.760129 -2.092639
H -2.259085 -3.423758 -0.087799
H -2.228478 -2.047552 1.018743
H 2.076914 0.013590 -2.809950
H 4.205280 -1.263980 1.525098
H 4.555290 -0.061094 -2.593126
H 5.603626 -0.699032 -0.431445
H -5.595268 -2.654896 1.181970
H 2.575106 -0.828206 3.189484
H 2.544224 -2.564525 2.660408
H 1.057100 -1.795211 3.339600


%chk=000217966-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217966

0 1
S -2.297069 0.385750 -0.670501
O 0.142465 -2.689881 -1.410708
O 1.270939 -1.859935 1.430386
O -4.670147 -3.179523 0.757834
O -4.758845 -1.985142 -1.232938
N 0.074638 1.811496 0.023609
N 0.284467 -0.452311 -0.686538
C -0.700212 3.015104 0.344617
C -0.326375 4.205651 -0.583958
C -0.363988 3.564809 1.754620
C -0.702696 5.486907 0.223366
C -0.891104 5.021784 1.710252
C -0.465464 0.719101 -0.375026
C -1.927351 -1.418518 -1.113674
C -0.404742 -1.601636 -1.100734
C -2.579435 -2.416349 -0.141476
C 1.713992 -0.494834 -0.480624
C 2.225205 -1.250764 0.611086
C 2.587234 0.188848 -1.343382
C -4.085650 -2.470652 -0.298302
C 3.625187 -1.329828 0.806139
C 3.983994 0.121303 -1.142582
C 4.494432 -0.643248 -0.071059
C 1.757115 -2.719325 2.513574
H -1.799391 2.834933 0.282072
H -0.833607 4.144123 -1.562523
H 0.763219 4.158106 -0.766973
H 0.735367 3.539881 1.877817
H -0.810100 2.960783 2.563970
H 0.092295 6.248710 0.136411
H -1.630754 5.945864 -0.162263
H -1.962818 5.045695 1.983197
H -0.360378 5.674568 2.425403
H -2.308216 -1.584614 -2.134866
H -2.174609 -3.426820 -0.353941
H -2.324326 -2.184013 0.906647
H 2.165295 0.770463 -2.168714
H 4.040979 -1.914107 1.632062
H 4.661686 0.652986 -1.817452
H 5.576423 -0.708928 0.088469
H -5.655438 -3.223122 0.620065
H 2.350023 -2.140981 3.248172
H 2.362242 -3.556005 2.115994
H 0.850416 -3.111930 2.996177


