%chk=000229415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229415

0 1
S 3.465507 -1.395859 0.011215
O 4.012075 -1.978736 -1.208463
O 3.726694 -2.026573 1.296968
O -3.160990 -0.679902 1.422417
N -4.733970 -0.752721 -0.272775
N -2.409152 -0.888525 -0.775733
C -6.137829 1.146650 0.616917
C 1.753488 -1.249652 -0.192494
C -5.826079 -0.354871 0.657479
C -6.873482 1.570683 -0.660386
C 4.017612 0.254033 0.107566
C -1.015340 -1.027062 -0.527619
C 0.917374 -1.104397 0.920397
C 1.195789 -1.313893 -1.473823
C -0.460831 -0.984204 0.765589
C -0.179293 -1.199973 -1.657026
C -7.197405 3.062530 -0.651741
C -3.413343 -0.742526 0.233566
C 4.124366 0.880889 1.351279
C 4.376406 0.937698 -1.056394
C 4.564765 2.206024 1.430767
C 4.817466 2.262846 -0.981104
C 4.907706 2.896428 0.263168
H -5.204336 1.732872 0.734332
H -6.751147 1.407877 1.503726
H -6.720768 -0.959162 0.384711
H -5.538619 -0.654447 1.696040
H -7.809860 0.987201 -0.767031
H -6.262942 1.330496 -1.551752
H 1.345092 -1.095313 1.929828
H 1.845858 -1.466177 -2.344757
H -4.902587 -0.507294 -1.246186
H -1.107125 -0.869375 1.644154
H -0.595416 -1.252467 -2.658963
H -6.291033 3.674995 -0.579138
H -7.840946 3.332830 0.193919
H -7.721279 3.360581 -1.567349
H -2.703227 -1.017719 -1.746607
H 3.878262 0.332506 2.266894
H 4.327591 0.433967 -2.027338
H 4.646816 2.695627 2.399504
H 5.096624 2.796613 -1.887573
H 5.251810 3.929204 0.323614


%chk=000229415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229415

0 1
S 3.532782 -1.420319 0.045566
O 4.063409 -2.115407 -1.342545
O 3.774127 -2.068159 1.531596
O -3.311915 -0.646689 1.540086
N -4.781662 -0.560766 -0.274740
N -2.482750 -0.789601 -0.672743
C -6.523497 1.038058 0.625059
C 1.673610 -1.180575 -0.151426
C -5.980192 -0.408568 0.569925
C -7.037434 1.572329 -0.731505
C 4.285708 0.325419 0.091205
C -1.093150 -0.920497 -0.442898
C 0.876698 -1.094624 1.000963
C 1.138632 -1.171217 -1.450024
C -0.518871 -0.958710 0.860560
C -0.253917 -1.034709 -1.590054
C -7.619056 2.998850 -0.625043
C -3.512477 -0.661569 0.289279
C 4.437441 0.945642 1.341145
C 4.717641 0.886561 -1.120456
C 5.031068 2.229521 1.367828
C 5.309546 2.170625 -1.074048
C 5.458196 2.839729 0.164318
H -5.730112 1.703946 1.016844
H -7.352438 1.062330 1.361730
H -6.765452 -1.094663 0.195599
H -5.689661 -0.739411 1.581503
H -7.813739 0.884017 -1.126062
H -6.208799 1.574987 -1.469899
H 1.336158 -1.162709 1.992777
H 1.793015 -1.298232 -2.318435
H -4.901772 -0.538803 -1.287972
H -1.171856 -0.891147 1.731923
H -0.695659 -1.026638 -2.594569
H -6.856221 3.709709 -0.256196
H -8.470670 3.026477 0.080289
H -7.978608 3.364821 -1.604038
H -2.761656 -0.808334 -1.656132
H 4.129570 0.428733 2.256196
H 4.620835 0.323537 -2.054793
H 5.166506 2.744726 2.324587
H 5.660715 2.640362 -1.998865
H 5.920209 3.832671 0.193264


