%chk=000229767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229767

0 1
S 5.887099 1.883148 -0.136423
O 1.567949 1.539861 -0.545907
O 3.693465 -2.795603 -1.034482
N -0.132918 2.156267 0.899100
N 1.961400 -1.261282 -1.274713
N -1.102740 1.800597 -0.004337
N 1.129542 -1.951160 -0.432128
C 3.607536 1.874831 1.406573
C 4.464211 0.409636 -1.986539
C 4.294590 2.646387 0.289691
C 5.428894 0.261141 -0.819140
C 2.176573 2.377901 1.655474
C 4.036010 -0.951460 -2.545738
C 1.236447 1.964929 0.538714
C 3.260570 -1.784488 -1.535407
C -3.394878 1.566222 -0.664594
C -0.981278 -2.196201 0.690576
C -2.358933 1.964512 0.310784
C -0.059175 -1.461727 -0.196866
C -4.701305 1.331966 -0.197917
C -2.321513 -1.773250 0.762003
C -3.106924 1.421037 -2.031471
C -0.558518 -3.292299 1.461822
C -5.703238 0.953803 -1.093233
C -3.220897 -2.439348 1.596414
C -4.116628 1.043336 -2.920714
C -1.464731 -3.951850 2.295425
C -5.413646 0.809207 -2.454902
C -2.795236 -3.527481 2.366070
H 4.191107 1.954871 2.347462
H 3.571569 0.788424 1.167872
H 3.562693 0.989408 -1.677581
H 4.933831 1.002201 -2.800068
H 3.648902 2.698473 -0.613046
H 4.522039 3.688808 0.584582
H 5.010191 -0.385215 -0.022666
H 6.380545 -0.215515 -1.132668
H 2.174419 3.484691 1.752784
H 1.827709 1.985870 2.634238
H 4.929599 -1.539892 -2.851800
H 3.445369 -0.816482 -3.474063
H -0.380515 2.519121 1.827187
H 1.708221 -0.312633 -1.608687
H -2.741881 2.371410 1.258882
H -0.458434 -0.521787 -0.617687
H -4.934914 1.439626 0.859691
H -2.662974 -0.931811 0.158750
H -2.093563 1.601294 -2.396439
H 0.479254 -3.630012 1.399032
H -6.713674 0.770002 -0.730464
H -4.258071 -2.113605 1.643469
H -3.889263 0.929886 -3.980255
H -1.132014 -4.802152 2.888680
H -6.198077 0.513628 -3.149981
H -3.498695 -4.044945 3.014441


%chk=000229767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229767

0 1
S 5.973590 1.914486 0.031592
O 1.569505 1.312556 -0.323165
O 3.678449 -3.221181 -1.578775
N -0.170730 2.491299 0.692557
N 2.194458 -1.451250 -1.153228
N -1.154539 1.919897 -0.105572
N 1.303268 -2.264863 -0.467508
C 3.541686 2.254722 1.521501
C 4.540401 0.354894 -1.925938
C 4.332714 2.810842 0.322635
C 5.348975 0.242744 -0.621870
C 2.094899 2.797852 1.585018
C 4.203730 -1.029926 -2.541966
C 1.172457 2.127984 0.553743
C 3.363559 -2.007084 -1.700266
C -3.505394 1.810615 -0.714843
C -0.814214 -2.511242 0.677345
C -2.386189 2.358726 0.059128
C 0.177254 -1.712021 -0.057935
C -4.811364 2.332150 -0.499319
C -2.041402 -1.906007 1.067613
C -3.320828 0.770781 -1.671935
C -0.583424 -3.878810 1.006416
C -5.911618 1.828075 -1.224170
C -3.016752 -2.646851 1.769649
C -4.421745 0.270583 -2.391497
C -1.558876 -4.613455 1.706831
C -5.720317 0.795792 -2.171653
C -2.779656 -4.002889 2.092908
H 4.071908 2.508079 2.457592
H 3.500484 1.152451 1.462933
H 3.615319 0.932324 -1.744107
H 5.131850 0.927059 -2.666094
H 3.745070 2.753698 -0.607144
H 4.624022 3.864079 0.485477
H 4.771752 -0.258360 0.174359
H 6.278605 -0.332615 -0.778938
H 2.089251 3.895927 1.423631
H 1.674963 2.627017 2.596690
H 5.134929 -1.574846 -2.776079
H 3.673465 -0.870106 -3.502959
H -0.420170 3.185075 1.415124
H 2.023514 -0.431930 -1.192114
H -2.634226 3.157855 0.788905
H -0.072932 -0.651104 -0.250108
H -4.962115 3.132875 0.236012
H -2.228638 -0.855444 0.811724
H -2.313784 0.374676 -1.837165
H 0.363619 -4.334498 0.699654
H -6.913215 2.236435 -1.051834
H -3.959986 -2.170159 2.059977
H -4.273731 -0.531602 -3.122255
H -1.373381 -5.664713 1.955286
H -6.573834 0.401541 -2.733832
H -3.535539 -4.579837 2.637767


