%chk=000105203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105203

0 1
S -0.051549 1.289661 1.929341
S 1.589415 -2.507904 1.431980
O 3.773225 1.672321 -0.834735
O -5.077645 0.563069 -0.994428
O 1.214361 -3.297799 2.569278
O 2.971092 -2.150339 1.201697
O 0.717579 -1.080233 1.630423
N -0.214405 -0.115872 -0.317405
C 0.005298 -1.246390 -1.247533
C -0.265398 -2.624189 -0.612740
C -1.529062 0.322644 -0.010387
C 0.762532 0.069509 0.788108
C -1.603217 1.142144 1.143006
C 0.981037 -3.277248 -0.033799
C -2.674615 0.076514 -0.780279
C 2.117885 0.454245 0.392122
C -2.796286 1.726021 1.545638
C -3.865648 0.687145 -0.357796
C -3.947263 1.504851 0.788842
C 2.475858 1.399518 -0.503172
C 1.615888 2.316486 -1.328075
C 1.418211 3.652588 -0.616294
C 4.864302 0.961050 -0.150764
C -5.145830 -0.246603 -2.192577
C 6.099307 1.430898 -0.890401
H -0.650103 -1.103151 -2.137023
H 1.053021 -1.175671 -1.624279
H -1.060075 -2.537792 0.162569
H -0.695477 -3.296717 -1.385109
H 0.759573 -4.348968 0.178177
H 1.780633 -3.323457 -0.806111
H -2.634989 -0.548757 -1.660304
H 2.903168 -0.082080 0.950532
H -2.839441 2.348940 2.440427
H -4.901709 1.943614 1.065543
H 0.631099 1.842354 -1.530141
H 2.091563 2.483826 -2.319130
H 0.793421 4.326482 -1.212992
H 0.921166 3.519604 0.355951
H 2.375305 4.155850 -0.432145
H 4.849262 1.267909 0.909360
H 4.689233 -0.127011 -0.238938
H -6.205442 -0.151626 -2.465766
H -4.892755 -1.285339 -1.963393
H -4.502050 0.171810 -2.971205
H 6.193347 2.525400 -0.856699
H 6.064574 1.149690 -1.951413
H 7.008305 0.999103 -0.454264


%chk=000105203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105203

0 1
S -0.145974 1.628784 1.941909
S 1.574916 -2.584339 1.460890
O 3.820623 1.598317 -0.847780
O -5.290695 0.274274 -0.852487
O 0.873648 -3.677893 2.429891
O 3.197277 -2.389297 1.498597
O 0.615504 -0.855533 1.847891
N -0.339622 0.018298 -0.223010
C -0.040313 -0.927629 -1.305034
C -0.155270 -2.433203 -0.917802
C -1.657721 0.415662 0.075428
C 0.658209 0.220231 0.842391
C -1.760743 1.295270 1.188285
C 1.131649 -3.064997 -0.395898
C -2.823236 0.034839 -0.633751
C 2.063616 0.493779 0.411985
C -3.006915 1.801432 1.600114
C -4.070288 0.571223 -0.225032
C -4.168125 1.451110 0.883314
C 2.475717 1.407601 -0.527232
C 1.616149 2.360110 -1.329637
C 1.818911 3.834261 -0.887530
C 4.848580 0.807112 -0.121547
C -5.269894 -0.637983 -1.995945
C 6.201125 1.197452 -0.707877
H -0.728753 -0.710276 -2.140240
H 0.982150 -0.719646 -1.669917
H -0.988909 -2.591005 -0.208269
H -0.415550 -3.000218 -1.836278
H 1.069833 -4.162034 -0.307695
H 2.034268 -2.750981 -0.943536
H -2.764707 -0.669773 -1.466547
H 2.807429 -0.064407 0.989175
H -3.079516 2.464617 2.467501
H -5.152366 1.830439 1.169398
H 0.556652 2.078033 -1.221463
H 1.890456 2.262824 -2.398216
H 1.208076 4.507104 -1.515475
H 1.511078 3.971427 0.164043
H 2.877355 4.129071 -0.986518
H 4.784488 1.046128 0.958360
H 4.635483 -0.272401 -0.251399
H -6.317900 -0.716361 -2.319933
H -4.895710 -1.639997 -1.706704
H -4.654069 -0.234223 -2.823924
H 6.388544 2.277143 -0.579092
H 6.246189 0.962200 -1.785029
H 7.005050 0.639556 -0.194678


