%chk=000107050.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000107050

1 1
S -4.037701 2.216320 1.085903
O -0.564658 -3.113355 -0.031115
O 1.519583 -1.874359 -1.198456
O -1.208317 -1.822128 -2.181574
O -5.005375 1.202152 -1.072152
O -5.265632 3.250474 0.589212
O -4.155143 2.014113 2.496887
O -2.822029 2.727812 0.523669
O 4.939039 2.148365 3.064231
O 5.773256 3.627021 1.574201
N 3.531036 -0.437819 0.293610
C 1.381475 -1.719490 0.214715
C 2.834306 -1.684073 0.739643
C 0.594077 -2.909492 0.801577
C -3.641046 -0.296618 0.173607
C -4.702957 0.763697 0.252001
C -1.574172 -2.156638 0.106179
C -1.956159 -1.479851 -1.081420
C -2.997111 -0.549191 -1.045296
C 4.014585 0.453445 1.223451
C -3.286916 -0.993633 1.338752
C -2.251764 -1.931800 1.303767
C 3.672291 -0.189027 -1.060369
C 4.664896 1.616815 0.799324
C 4.317877 0.966255 -1.495986
C 4.823919 1.885675 -0.570278
C 5.198802 2.596736 1.797500
C -1.590480 -1.245685 -3.460375
H 0.846595 -0.756470 0.399283
H 3.393072 -2.571706 0.336464
H 2.855757 -1.771011 1.850762
H 1.116552 -3.880673 0.676257
H 0.315063 -2.762146 1.857162
H -5.625474 0.372868 0.750883
H -3.319191 -0.006769 -1.939732
H -3.811785 -0.810306 2.280481
H 3.886129 0.241780 2.304718
H -1.984378 -2.491371 2.200746
H 3.232386 -0.931776 -1.771601
H 0.653465 -2.241582 -1.593288
H 4.422693 1.149745 -2.576718
H 5.337115 2.806334 -0.897750
H -5.886460 1.666500 -1.078214
H -5.057782 4.197667 0.524002
H -1.457204 -0.160366 -3.442154
H -2.619511 -1.528812 -3.708587
H -0.879944 -1.730528 -4.143215
H 5.276520 2.777998 3.775492


%chk=000107050-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107050

1 1
S -1.745439 2.893334 1.745929
O -0.569397 -3.546228 -0.321242
O 1.742094 -2.126918 -1.312297
O -0.832750 -1.360395 -1.941738
O -4.636355 1.428268 0.315777
O -3.636470 3.868475 0.611833
O -0.567112 3.965594 2.122873
O -1.200399 1.830147 0.648775
O 1.712282 2.838501 1.687418
O 2.762228 4.119639 0.029188
N 3.354463 -0.645029 0.372167
C 1.395109 -2.115271 0.098508
C 2.725748 -1.919822 0.853173
C 0.656881 -3.411053 0.502444
C -3.669402 -0.780196 0.455691
C -4.637222 0.265375 0.824444
C -1.609587 -2.631369 -0.050674
C -1.763095 -1.487726 -0.900185
C -2.779809 -0.559104 -0.630676
C 2.849504 0.548182 0.828193
C -3.567911 -1.955715 1.246065
C -2.525535 -2.871202 0.995563
C 4.285904 -0.678985 -0.638595
C 3.264918 1.763364 0.264544
C 4.771031 0.516274 -1.192383
C 4.250979 1.752821 -0.752270
C 2.571591 3.050170 0.649998
C -0.977003 -0.200753 -2.846763
H 0.729828 -1.251382 0.328009
H 3.416382 -2.750449 0.635010
H 2.570560 -1.850613 1.942730
H 1.251518 -4.301924 0.244403
H 0.400712 -3.416912 1.581945
H -5.371953 0.006600 1.620160
H -2.889032 0.365076 -1.203262
H -4.277987 -2.136352 2.060701
H 2.096872 0.525686 1.618366
H -2.413527 -3.782658 1.591193
H 4.598309 -1.664783 -0.984275
H 0.875522 -2.089455 -1.816483
H 5.523910 0.465197 -1.981746
H 4.567049 2.704635 -1.191288
H -4.194760 3.046078 0.428234
H -3.587447 4.479645 -0.159716
H -0.858217 0.745257 -2.287849
H -1.956903 -0.232292 -3.354222
H -0.171751 -0.312136 -3.586450
H 0.964969 3.535499 1.834979


