%chk=000284386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284386

0 1
S 1.903199 -0.973038 1.614432
S 1.134673 -1.558187 -1.362634
S -2.842416 -1.472321 -0.382108
O -1.595567 -0.810383 0.636363
O 2.822057 0.108558 1.887523
O 2.386924 -2.319325 1.464116
O 2.514152 -1.790423 -1.688098
O 0.246954 -2.686647 -1.123288
O -4.066480 -1.065537 0.238809
O -2.514795 -0.986996 -1.699073
N 1.107629 -0.613479 0.103095
C 0.283302 0.562261 0.115098
C 0.821993 1.855575 -0.095478
C -1.110332 0.443026 0.357342
C 0.634191 -0.934019 2.800310
C 0.421521 -0.543925 -2.568083
C -0.040674 2.965384 -0.067302
C -1.959304 1.552741 0.384288
C 2.276699 2.053069 -0.329793
C -1.408100 2.817458 0.167650
C -2.497432 -3.127899 -0.162432
H 0.793900 -1.655129 3.615999
H 0.515658 0.047104 3.284627
H -0.366761 -1.179406 2.393737
H 0.741563 0.507200 -2.550029
H 0.631746 -0.889487 -3.592583
H -0.694413 -0.507155 -2.520617
H 0.370533 3.961845 -0.228894
H -3.025925 1.428725 0.578218
H 2.857625 1.783380 0.584331
H 2.677052 1.401622 -1.119387
H 2.543153 3.085124 -0.583294
H -2.055135 3.696179 0.185092
H -3.021753 -3.807560 -0.852405
H -1.406012 -3.367619 -0.352325
H -2.689024 -3.516518 0.849290


%chk=000284386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284386

0 1
S 1.890191 -0.547826 1.935906
S 0.854478 -1.885733 -0.941540
S -3.170739 -1.051925 -0.745244
O -1.661107 -0.466847 0.540601
O 0.731220 0.109067 2.881429
O 3.412534 0.021581 2.030558
O 2.366021 -2.482223 -0.855789
O -0.327214 -2.896938 -0.432760
O -4.495445 -0.160994 -0.452286
O -2.610163 -1.123685 -2.271984
N 1.195976 -0.093196 -0.131641
C 0.245576 0.931161 -0.009794
C 0.808058 2.263860 -0.115199
C -1.158929 0.788259 0.335520
C 1.928175 -2.441819 2.253288
C 0.488944 -1.351075 -2.735358
C -0.053579 3.370975 0.027675
C -1.987666 1.934365 0.476712
C 2.291163 2.460625 -0.344396
C -1.434956 3.213978 0.312871
C -3.319151 -2.777726 0.030888
H 2.273562 -2.539743 3.292493
H 0.898018 -2.793199 2.100627
H 2.621700 -2.847614 1.504924
H 1.218560 -0.563229 -2.963248
H 0.654055 -2.261897 -3.328977
H -0.561113 -1.021076 -2.753233
H 0.366691 4.377430 -0.075417
H -3.044552 1.792571 0.721117
H 2.867005 2.210981 0.566230
H 2.672360 1.788479 -1.131958
H 2.508510 3.506811 -0.616825
H -2.070214 4.098946 0.423475
H -4.061458 -3.318082 -0.573274
H -2.296904 -3.180590 -0.035626
H -3.649206 -2.599472 1.062730


