%chk=000103597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000103597

1 1
S -3.316381 -0.786631 -0.676571
S 2.535008 1.856585 0.106969
O -4.427125 -1.427617 -1.740176
O -2.706080 0.356257 -1.341437
O -3.996131 -0.542639 0.559873
O -1.444730 4.064760 -0.344729
N 1.070571 -0.062321 -0.820706
C -0.777813 -1.624413 -0.224263
C -2.164486 -2.124530 -0.644453
C -0.063961 -0.860400 -1.353401
C 2.372887 -0.633869 -0.619329
C -2.687852 -3.193849 0.306998
C 0.974375 1.261612 -0.467679
C 3.299411 0.304074 -0.114233
C 2.763276 -1.955273 -0.876698
C -0.173201 2.041414 -0.527852
C 4.622406 -0.046883 0.141916
C 4.090444 -2.302112 -0.618192
C 5.009785 -1.363390 -0.115369
C -0.293145 3.402547 -0.297555
C 0.794650 4.364476 -0.002849
C -2.751258 3.375849 -0.514507
C -3.259627 3.001191 0.852641
H -0.839817 -1.004484 0.696476
H -0.155806 -2.496311 0.083036
H -2.092990 -2.588591 -1.669475
H -0.771690 -0.164389 -1.889856
H 0.316780 -1.561743 -2.132491
H -2.845048 -2.820104 1.331583
H -3.645895 -3.620120 -0.032715
H -1.992320 -4.043279 0.384635
H 2.064479 -2.692106 -1.268707
H -1.116253 1.515538 -0.824920
H 5.337509 0.681302 0.531255
H 4.425348 -3.326438 -0.811330
H 6.042028 -1.671802 0.074626
H -5.326201 -1.051948 -1.749636
H 1.596278 4.349457 -0.762794
H 0.426969 5.412375 0.025955
H 1.253439 4.189206 0.987259
H -3.325809 4.191134 -0.997330
H -2.635822 2.511895 -1.202667
H -4.289924 2.610858 0.798591
H -2.659786 2.216517 1.331937
H -3.282894 3.861395 1.538068


%chk=000103597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103597

1 1
S -3.507954 -0.872483 -0.895125
S 2.683785 1.940019 0.034865
O -4.255153 -1.893832 -2.230149
O -2.857453 0.480813 -1.536121
O -4.536344 -0.674043 0.333780
O -1.428061 4.159406 -0.258037
N 1.101769 -0.006380 -0.782589
C -0.829975 -1.451579 -0.072650
C -2.082563 -2.225292 -0.507478
C -0.077358 -0.778365 -1.249508
C 2.375411 -0.625327 -0.642258
C -2.677144 -3.177866 0.523041
C 1.044691 1.335971 -0.453685
C 3.377300 0.279396 -0.211797
C 2.702448 -1.978165 -0.889847
C -0.143806 2.110199 -0.470847
C 4.710981 -0.117821 -0.021170
C 4.038693 -2.385761 -0.699360
C 5.034387 -1.470460 -0.270489
C -0.244878 3.492497 -0.237160
C 0.887971 4.442266 0.050369
C -2.769015 3.484617 -0.432064
C -3.261495 2.917991 0.899301
H -1.085891 -0.703267 0.701672
H -0.164279 -2.185080 0.423754
H -1.995569 -2.674434 -1.512102
H -0.753107 -0.108478 -1.803762
H 0.281110 -1.539188 -1.963993
H -2.873737 -2.676661 1.485785
H -3.615127 -3.632855 0.165692
H -1.952112 -3.995148 0.698134
H 1.952805 -2.701355 -1.223251
H -1.069309 1.570380 -0.703034
H 5.477175 0.589333 0.308639
H 4.310841 -3.428694 -0.887316
H 6.063824 -1.812650 -0.130786
H -5.131534 -1.499049 -2.509719
H 1.670744 4.393419 -0.728124
H 0.495338 5.469075 0.091886
H 1.364599 4.215284 1.022767
H -3.398356 4.316885 -0.780948
H -2.703657 2.715799 -1.220989
H -4.262737 2.476583 0.750950
H -2.603795 2.118033 1.280723
H -3.339862 3.709467 1.662899


