%chk=000267909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267909

0 1
S 0.167928 -1.163983 -0.028460
O 2.846549 -2.446195 -0.054577
O 5.281256 1.463862 0.049303
N 4.106048 -0.539433 -0.003771
N 1.753566 0.989122 0.029296
N 2.973939 1.576778 0.046854
C -3.579629 0.472465 0.003881
C -4.944885 -0.227173 -0.017263
C -2.431113 -0.549178 -0.019014
C -6.095621 0.788939 0.005105
C -1.083178 0.160312 0.001907
C -7.457141 0.098230 -0.015528
C 1.688167 -0.315459 -0.003662
C 2.855071 -1.243483 -0.024325
C 4.224029 0.875274 0.032076
H -3.498690 1.111951 0.904372
H -3.494199 1.156643 -0.862707
H -5.033980 -0.912162 0.848122
H -5.029320 -0.868016 -0.916278
H -2.529014 -1.233452 0.849925
H -2.524862 -1.189125 -0.921536
H -6.011264 1.473419 -0.861747
H -6.015734 1.429480 0.905315
H -0.955203 0.831126 -0.869185
H -0.959298 0.786544 0.906152
H -7.590205 -0.560089 0.850638
H -7.586462 -0.514662 -0.914952
H -8.272680 0.830136 0.001600
H 4.980638 -1.084683 -0.015485
H 2.973786 2.606312 0.072745


%chk=000267909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267909

0 1
S 0.240588 -1.429202 -0.010286
O 3.094758 -2.469086 -0.004995
O 5.241307 1.712381 0.021554
N 4.164390 -0.387295 0.009123
N 1.688180 0.895381 0.008999
N 2.899170 1.578219 0.016180
C -3.570777 0.402814 0.014129
C -4.991587 -0.204659 -0.027873
C -2.459674 -0.674605 -0.023554
C -6.109794 0.861081 0.023555
C -1.060486 -0.040779 0.002954
C -7.526002 0.247838 -0.022080
C 1.744365 -0.431457 0.001467
C 3.016806 -1.213343 0.001382
C 4.188877 1.026162 0.016885
H -3.460918 1.014712 0.933381
H -3.443872 1.096737 -0.842609
H -5.116801 -0.907051 0.822441
H -5.105907 -0.809813 -0.951239
H -2.581885 -1.356114 0.841616
H -2.576532 -1.290967 -0.936777
H -5.983249 1.564576 -0.824765
H -5.996627 1.464448 0.947388
H -0.870966 0.595020 -0.877714
H -0.889036 0.559337 0.912075
H -7.691879 -0.432452 0.834463
H -7.674810 -0.338109 -0.948669
H -8.306678 1.029693 0.011843
H 5.077205 -0.855236 0.009100
H 2.820336 2.595269 0.020826


