%chk=000180539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180539

0 1
S 1.137924 0.521517 2.374278
P 1.489691 0.513244 0.515242
O -2.809841 0.899629 0.124023
O 1.313955 -1.059925 -0.265279
O 1.014483 1.809788 -0.352531
O 3.082749 0.531308 0.081529
N -0.675210 -0.131844 -0.012314
N -2.758163 -1.272579 -0.554415
C -2.184370 2.178297 0.627784
C -2.135322 2.068233 2.133475
C -3.186000 3.190694 0.101810
C -0.009066 -1.284101 -0.388596
C -2.048907 -0.159975 -0.125854
C -2.052812 -2.386031 -0.891354
C -0.636451 -2.437343 -0.837182
C 1.624468 2.032500 -1.662545
C 3.990493 -0.359338 0.806411
C -2.840780 -3.569003 -1.334014
C 1.061513 1.086772 -2.704293
C 5.338797 -0.063070 0.177001
H -1.179928 2.287390 0.160083
H -1.501603 1.222978 2.454655
H -1.701106 2.967473 2.587812
H -3.127171 1.908669 2.572930
H -3.012994 4.181140 0.538724
H -3.135586 3.283357 -0.989908
H -4.217787 2.894949 0.345905
H -0.080050 -3.323447 -1.115008
H 2.728503 1.983455 -1.585220
H 1.310654 3.083192 -1.836825
H 3.670558 -1.405565 0.639244
H 3.970248 -0.106054 1.884703
H -2.695245 -4.419754 -0.650158
H -3.925282 -3.359112 -1.362769
H -2.543857 -3.897092 -2.341012
H 1.271624 1.447649 -3.719003
H 1.484133 0.074346 -2.631224
H -0.030104 0.991820 -2.610976
H 6.134455 -0.658719 0.638380
H 5.330559 -0.277079 -0.900102
H 5.600427 0.998631 0.285894


%chk=000180539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180539

0 1
S 1.478234 0.849606 2.508225
P 1.838238 0.698425 0.497758
O -3.256029 0.786296 0.177557
O 1.166864 -0.752118 -0.338984
O 1.499142 2.093902 -0.429145
O 3.457284 0.387851 -0.014406
N -1.026575 0.041587 -0.038437
N -2.937555 -1.401792 -0.466885
C -2.715605 2.136208 0.603871
C -2.367290 2.086700 2.096417
C -3.836656 3.117182 0.255422
C -0.206587 -0.981810 -0.361148
C -2.369207 -0.216422 -0.109025
C -2.079635 -2.422540 -0.784064
C -0.671012 -2.257803 -0.744666
C 2.048168 2.285888 -1.816718
C 4.233276 -0.690960 0.668619
C -2.719566 -3.733152 -1.172976
C 1.251916 1.506334 -2.864697
C 5.674399 -0.549618 0.190038
H -1.804477 2.329094 0.008269
H -1.532153 1.392370 2.285745
H -2.051708 3.090004 2.436831
H -3.248107 1.778328 2.687463
H -3.522413 4.146418 0.506330
H -4.077471 3.074943 -0.820595
H -4.751774 2.880815 0.826081
H 0.019480 -3.065022 -0.989126
H 3.118078 2.015892 -1.816560
H 1.939820 3.375591 -1.946111
H 3.794432 -1.665226 0.384861
H 4.143916 -0.552850 1.763287
H -3.349674 -4.104509 -0.345281
H -3.388240 -3.583916 -2.039209
H -1.967835 -4.498863 -1.424645
H 1.587568 1.805813 -3.875597
H 1.402700 0.418724 -2.760057
H 0.173900 1.725110 -2.778683
H 6.298709 -1.334096 0.656326
H 5.737354 -0.661225 -0.905782
H 6.083688 0.435838 0.469001


