%chk=000213135.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213135

0 1
S 5.322994 0.527137 0.908648
O 0.280685 -1.855223 -0.975912
N -0.741896 1.018664 0.570956
N -2.044141 3.522976 -0.149896
C 0.140051 0.142722 1.425990
C -1.884996 1.571297 1.373762
C 0.027816 2.156506 -0.035619
C -2.814626 2.384747 0.451278
C -0.901479 2.975741 -0.953398
C -0.619315 -1.129414 1.882266
C 1.369020 -0.281359 0.656241
C -1.488546 -1.693942 0.804764
C 1.348385 -1.202623 -0.400759
C -2.934567 4.356689 -1.011917
C 2.615045 0.260489 1.026809
C -1.026692 -1.927968 -0.498137
C -2.840438 -1.978787 1.069671
C 2.533499 -1.576943 -1.083710
C 3.778074 -0.107037 0.359914
C -1.870475 -2.405199 -1.521066
C 3.746526 -1.026151 -0.699505
C -3.686983 -2.468436 0.075481
C -3.202510 -2.674106 -1.223535
C 5.575061 1.953763 -0.177419
H 0.466903 0.688932 2.355118
H -1.546107 2.209516 2.218879
H -2.461938 0.723495 1.800209
H 0.853911 1.737945 -0.650768
H 0.482777 2.822559 0.729046
H -3.648239 2.806458 1.051194
H -3.261059 1.710974 -0.313030
H -1.234934 2.342206 -1.804621
H -0.333802 3.830587 -1.377646
H -1.215571 -0.898905 2.787942
H 0.118177 -1.894646 2.210439
H -3.393088 3.825968 -1.859153
H -2.355354 5.206411 -1.407368
H -3.740018 4.779347 -0.390275
H 2.660553 0.978275 1.850234
H -3.232485 -1.815088 2.072978
H 2.464204 -2.296005 -1.899229
H -1.464858 -2.555963 -2.519747
H 4.666488 -1.311410 -1.213619
H -4.727020 -2.687154 0.306333
H -3.868070 -3.044474 -2.001788
H 5.614078 1.660402 -1.231291
H 6.537104 2.408646 0.091821
H 4.789255 2.704979 -0.050066


%chk=000213135-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213135

0 1
S 5.473003 0.448755 0.982552
O 0.181909 -1.691194 -1.085437
N -0.715585 1.092759 0.559069
N -2.082302 3.558387 -0.178348
C 0.137636 0.186177 1.383522
C -1.941577 1.544086 1.268516
C 0.029329 2.275535 0.048933
C -2.825909 2.384872 0.333527
C -0.858209 3.113259 -0.883524
C -0.649773 -1.069093 1.869943
C 1.379017 -0.252669 0.618838
C -1.517480 -1.710821 0.800565
C 1.330021 -1.139170 -0.490369
C -2.923117 4.441090 -1.007913
C 2.652895 0.208480 1.035866
C -1.097687 -1.937880 -0.535885
C -2.844747 -2.093264 1.132184
C 2.517553 -1.509649 -1.170761
C 3.841581 -0.162917 0.373134
C -1.970320 -2.515070 -1.489737
C 3.768784 -1.031150 -0.742560
C -3.723141 -2.678295 0.197453
C -3.279476 -2.884376 -1.129617
C 5.696427 1.935274 -0.171113
H 0.495121 0.718024 2.304425
H -1.684879 2.152604 2.172860
H -2.523349 0.664966 1.591484
H 0.915712 1.929117 -0.509136
H 0.380643 2.924988 0.890924
H -3.711842 2.740674 0.892912
H -3.183083 1.727102 -0.500066
H -1.104354 2.500860 -1.789017
H -0.295182 4.005784 -1.216497
H -1.293618 -0.798460 2.726166
H 0.095630 -1.786814 2.263602
H -3.309372 3.944265 -1.934461
H -2.341035 5.329093 -1.314300
H -3.791611 4.788495 -0.419524
H 2.709761 0.885470 1.896039
H -3.187161 -1.922927 2.161101
H 2.431123 -2.188772 -2.024145
H -1.593262 -2.665469 -2.505792
H 4.684571 -1.338897 -1.257458
H -4.736870 -2.963943 0.496844
H -3.944344 -3.330635 -1.876867
H 5.710531 1.599005 -1.219074
H 6.665358 2.388677 0.091808
H 4.884082 2.660265 -0.010166


