%chk=000188057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188057

0 1
S 1.154909 1.361297 0.925273
P 1.808881 0.219663 -0.699183
O 2.570956 -1.026476 0.061144
O 3.050540 1.067950 -1.349756
O 0.764541 -0.105007 -1.692821
N -3.794437 -0.207269 0.474625
C -2.791788 0.774129 -0.079467
C -1.557279 0.832366 0.872737
C -2.351268 0.289519 -1.478927
C -1.978401 1.186016 2.310034
C -4.242259 0.180725 1.854590
C -4.998723 -0.310016 -0.420074
C -3.035702 0.195327 2.803632
C -3.544398 0.165077 -2.428624
C -4.586268 -0.781658 -1.822868
C -0.531277 1.839168 0.353167
C 2.054574 -2.364093 -0.207294
C 4.175172 1.478687 -0.530719
C 1.108368 -2.775679 0.917721
C 5.124413 0.309846 -0.275955
C -0.371826 -2.629830 0.549020
C 6.463343 0.806992 0.282910
C -1.284880 -3.277768 1.586015
C 7.419269 -0.351491 0.556603
H -3.233100 1.799347 -0.165437
H -1.117183 -0.210495 0.884010
H -1.583882 0.971695 -1.899611
H -1.833258 -0.689653 -1.394475
H -1.096057 1.162827 2.978129
H -2.372940 2.218048 2.357247
H -4.759558 1.163902 1.882246
H -4.975066 -0.581201 2.198842
H -5.687789 -1.056917 0.030849
H -5.558754 0.647211 -0.494949
H -3.363483 0.454275 3.826313
H -2.598763 -0.822830 2.862011
H -3.991170 1.157710 -2.622342
H -3.205446 -0.215668 -3.410589
H -4.163761 -1.804693 -1.757702
H -5.477364 -0.850236 -2.471577
H -0.703234 2.859153 0.744986
H -0.564869 1.918756 -0.757203
H 1.592494 -2.429324 -1.211631
H 2.990341 -2.958868 -0.196384
H 3.833857 1.968343 0.398977
H 4.629795 2.245116 -1.194711
H 1.335028 -2.175080 1.824847
H 1.319228 -3.825189 1.205457
H 5.283402 -0.251872 -1.218751
H 4.668910 -0.425057 0.423831
H -0.643932 -1.548378 0.455774
H -0.567447 -3.066287 -0.449856
H 6.932138 1.515451 -0.428755
H 6.293948 1.378040 1.217473
H -2.337343 -3.047606 1.364819
H -1.079092 -2.907892 2.596286
H -1.179191 -4.367044 1.601781
H 7.638105 -0.919026 -0.355445
H 8.374098 0.008715 0.956085
H 7.002474 -1.055249 1.286773


%chk=000188057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188057

0 1
S 0.997204 0.559691 1.384188
P 1.593067 -0.737081 -0.419956
O 2.679611 -1.835981 0.365931
O 2.595407 0.257251 -1.418973
O 0.427682 -1.395231 -1.278693
N -4.191678 0.381221 -0.123193
C -2.944635 1.203107 -0.217755
C -1.785072 0.511012 0.575043
C -2.569363 1.400740 -1.709993
C -2.212194 0.196220 2.027671
C -4.606467 0.103210 1.274156
C -5.322286 0.975561 -0.884187
C -3.505638 -0.638066 2.046852
C -3.727697 1.988454 -2.543657
C -4.992246 1.122617 -2.378344
C -0.519911 1.390267 0.553621
C 2.454408 -3.314075 0.229707
C 3.674970 1.113771 -0.849695
C 1.920845 -3.904506 1.538018
C 4.986631 0.348082 -0.638724
C 0.480598 -3.468692 1.888993
C 6.110729 1.294427 -0.151447
C -0.045841 -4.151675 3.169198
C 7.448664 0.554252 0.062966
H -3.125238 2.217559 0.243848
H -1.561108 -0.438328 0.049178
H -1.693814 2.071410 -1.789482
H -2.269786 0.417568 -2.121825
H -1.393820 -0.335100 2.548783
H -2.382966 1.148704 2.575417
H -4.858663 1.053006 1.820489
H -5.529495 -0.506155 1.237866
H -6.201159 0.316561 -0.749768
H -5.599843 1.983590 -0.471253
H -3.837612 -0.820062 3.087134
H -3.326212 -1.620802 1.570133
H -3.945663 3.022254 -2.201764
H -3.431571 2.056632 -3.607648
H -4.817665 0.118151 -2.809146
H -5.853963 1.574115 -2.907055
H -0.650182 2.319109 1.139353
H -0.200394 1.657489 -0.464905
H 1.760009 -3.501777 -0.611710
H 3.453720 -3.712577 -0.016562
H 3.316349 1.574913 0.093305
H 3.790562 1.903570 -1.612665
H 2.609249 -3.636084 2.363284
H 1.960308 -5.010638 1.438751
H 5.286215 -0.125783 -1.593432
H 4.828661 -0.465087 0.094347
H 0.454636 -2.369466 2.021313
H -0.190233 -3.697977 1.037019
H 6.254647 2.110965 -0.888348
H 5.801981 1.778728 0.797475
H -1.071698 -3.815952 3.407942
H 0.597047 -3.916582 4.038585
H -0.068778 -5.252438 3.056091
H 7.794378 0.080622 -0.874907
H 8.240412 1.245460 0.405193
H 7.342494 -0.242676 0.822337


