%chk=000279691.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279691

0 1
S -1.263353 0.930220 -1.015083
O 1.295788 1.527088 -1.559930
O -1.044474 2.353397 -1.291154
O -1.476003 0.031565 -2.122591
N -2.641093 0.844058 0.026719
C 0.019709 0.387045 0.099613
C 1.290234 1.260084 -0.146180
C -3.526098 2.047765 0.020244
C -3.405471 -0.438372 -0.048514
C -4.511282 1.981128 1.199054
C -4.397525 -0.531456 1.123090
C -5.331045 0.685222 1.157272
C 0.239204 -1.087351 -0.076170
C 2.588962 0.531721 0.168167
C 1.219999 2.576916 0.631386
C -0.138574 -1.971013 0.947224
C 0.811564 -1.592484 -1.255499
C 2.810143 0.011973 1.452187
C 3.580968 0.407500 -0.813231
C 0.054588 -3.346523 0.789124
C 1.000951 -2.967300 -1.405998
C 4.018005 -0.624391 1.749023
C 4.787668 -0.230567 -0.512129
C 0.623638 -3.847003 -0.385300
C 5.008643 -0.745678 0.768508
H -0.310641 0.575506 1.157653
H -4.088675 2.140833 -0.936055
H -2.885159 2.956447 0.108250
H -2.683885 -1.286069 0.002005
H -3.947971 -0.537253 -1.016866
H -5.178092 2.862604 1.173390
H -3.952371 2.038849 2.153735
H -3.839157 -0.598759 2.077403
H -4.982793 -1.465633 1.036356
H -5.998317 0.628139 2.037108
H -5.992246 0.682032 0.269535
H 2.107238 3.192648 0.428321
H 1.179680 2.424781 1.713982
H 0.341424 3.176182 0.339994
H 0.873029 2.409541 -1.776120
H -0.578806 -1.592347 1.866922
H 1.099125 -0.903224 -2.056210
H 2.040063 0.092526 2.216145
H 3.399338 0.809036 -1.814051
H -0.237841 -4.028394 1.585335
H 1.442140 -3.353881 -2.323845
H 4.186582 -1.029672 2.744749
H 5.554607 -0.326668 -1.278586
H 0.773139 -4.917789 -0.506429
H 5.948045 -1.242580 1.002145


%chk=000279691-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279691

0 1
S -1.626354 0.206031 -1.130587
O 1.366204 1.242693 -1.647950
O -1.308256 1.502190 -2.113833
O -2.296647 -1.114126 -1.813501
N -2.757058 0.870012 0.308989
C 0.175566 -0.310899 -0.096476
C 1.126758 0.920129 -0.236966
C -3.467262 2.112269 -0.128920
C -3.723527 -0.202313 0.699796
C -4.194733 2.677122 1.115815
C -4.477710 0.296473 1.958068
C -5.191428 1.638788 1.680305
C 0.547484 -1.649484 -0.616311
C 2.486543 0.537166 0.387675
C 0.567068 2.166810 0.499546
C 0.049657 -2.801569 0.054056
C 1.363614 -1.821754 -1.770118
C 2.564059 0.100133 1.734460
C 3.675832 0.661469 -0.367969
C 0.375661 -4.095542 -0.396560
C 1.686835 -3.116952 -2.218960
C 3.811998 -0.212807 2.315524
C 4.925196 0.354613 0.216934
C 1.196732 -4.256457 -1.537163
C 4.999620 -0.085868 1.558000
H -0.290851 -0.347457 0.901613
H -4.205948 1.903953 -0.934878
H -2.726036 2.826931 -0.522573
H -3.167724 -1.130100 0.922834
H -4.443803 -0.428861 -0.115953
H -4.714757 3.610219 0.827129
H -3.441360 2.935361 1.884074
H -3.751727 0.421977 2.783961
H -5.202496 -0.482123 2.263512
H -5.660889 2.020456 2.606184
H -6.007712 1.478106 0.946838
H 1.304957 2.980583 0.403354
H 0.404088 1.967028 1.573151
H -0.383815 2.502698 0.053714
H 0.477830 1.526937 -2.040918
H -0.590424 -2.678569 0.937286
H 1.729238 -0.934058 -2.294536
H 1.654475 -0.000077 2.339733
H 3.602392 1.007026 -1.402142
H -0.010623 -4.974206 0.131019
H 2.317187 -3.241548 -3.106157
H 3.857939 -0.553277 3.356151
H 5.840765 0.459508 -0.376403
H 1.447936 -5.261474 -1.894525
H 5.969108 -0.326761 2.008376


