%chk=000290122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290122

0 1
S 2.405622 -2.146647 0.417660
O 0.817758 0.769646 -0.865298
O 1.300694 1.014091 2.320447
O 4.193003 1.568682 0.037464
O 3.097230 3.884533 -0.937939
O -1.614426 -2.286109 -1.051593
O -5.048031 0.156726 0.729812
N -1.068815 -0.323696 0.034111
N -3.353968 -1.046352 -0.165467
C 1.230967 -0.846465 0.871422
C 2.010230 0.429416 1.215135
C 1.835184 1.360196 -0.011398
C 0.367766 -0.493667 -0.352639
C 3.096783 1.448250 -0.895064
C 3.091030 2.718446 -1.764437
C -1.490433 0.779552 0.802049
C -2.000070 -1.294865 -0.453690
C 1.310600 -3.608179 0.272629
C -2.802141 0.990962 1.082129
C -3.847592 0.086884 0.586550
C 2.156170 -4.700472 -0.341679
C -3.254566 2.149270 1.904507
H 0.616577 -1.160930 1.752556
H 3.076234 0.272678 1.493726
H 1.449747 2.367664 0.266113
H 0.422090 -1.200962 -1.222923
H 3.212708 0.527074 -1.507652
H 3.962069 2.754497 -2.442153
H 2.155302 2.814925 -2.351679
H 1.900766 1.572073 2.858703
H -0.685916 1.440174 1.167434
H 0.934326 -3.892675 1.272650
H 0.424828 -3.371874 -0.356953
H 5.024051 1.251586 -0.371636
H -4.041921 -1.724825 -0.524484
H 2.526221 -4.432000 -1.341616
H 3.028385 -4.957662 0.275268
H 1.567876 -5.623062 -0.461850
H 3.806835 3.796380 -0.254461
H -3.019564 3.106509 1.417468
H -2.786659 2.150780 2.898690
H -4.346951 2.131746 2.062388


%chk=000290122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290122

0 1
S 2.488966 -1.962397 0.438854
O 0.757414 1.225709 -0.599614
O 1.209620 1.261140 2.451309
O 4.433833 1.524429 -0.008038
O 3.497847 3.661848 -1.489021
O -1.443550 -1.834802 -1.624083
O -5.159296 -0.067418 0.590954
N -1.087614 -0.166104 0.011104
N -3.267510 -0.900785 -0.491055
C 1.255910 -0.608732 0.932559
C 2.018093 0.660948 1.369474
C 2.015466 1.553021 0.110168
C 0.361423 -0.160870 -0.266747
C 3.213234 1.307072 -0.833320
C 3.231942 2.314962 -1.998144
C -1.622944 0.691365 0.982142
C -1.902786 -1.021833 -0.769020
C 1.260237 -3.395456 0.161627
C -2.969030 0.781703 1.244813
C -3.900365 -0.049858 0.467363
C 2.041808 -4.643118 -0.270674
C -3.547936 1.701045 2.291490
H 0.656256 -0.992681 1.773237
H 3.044950 0.456692 1.719258
H 1.967834 2.629280 0.355963
H 0.499876 -0.807202 -1.149029
H 3.176687 0.265937 -1.213141
H 3.997199 2.013679 -2.745898
H 2.244499 2.353512 -2.486239
H 1.682810 2.056441 2.804537
H -0.878228 1.280172 1.527174
H 0.735539 -3.558589 1.119242
H 0.531259 -3.087237 -0.607159
H 5.175949 0.973085 -0.360211
H -3.887074 -1.502932 -1.042823
H 2.571873 -4.474918 -1.224843
H 2.782292 -4.944085 0.491611
H 1.341356 -5.485445 -0.417660
H 4.268303 3.571545 -0.865330
H -4.244160 2.426275 1.832231
H -2.754755 2.256654 2.819501
H -4.137228 1.130243 3.031741


