%chk=000187618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187618

0 1
S -0.075253 1.292299 -0.515714
O 1.355227 -1.828559 -2.681281
O -0.763939 2.061558 0.512777
O -0.199069 1.718681 -1.897220
N -0.641246 -0.335451 -0.469312
C 0.139147 -2.145562 -1.925452
C -0.855731 -1.005682 -1.773107
C 0.387392 -2.748114 -3.280230
C -1.429069 -0.900156 0.664218
C -2.923372 -0.628824 0.522511
C -0.898493 -0.405851 2.011305
C 1.584177 1.149460 -0.081253
C -3.785231 -1.705647 0.263656
C -3.451862 0.662174 0.647201
C 2.482282 0.485089 -0.923498
C 2.039724 1.716557 1.115488
C 4.290277 0.956311 0.625772
C 3.830065 0.386913 -0.571639
C 3.384154 1.621643 1.470841
C -5.159860 -1.491235 0.130605
C -4.826611 0.874395 0.511857
C 5.742444 0.850659 1.006844
C -5.683208 -0.200205 0.253398
C 6.000979 -0.424442 1.808302
H 0.343859 -2.727425 -1.020720
H -1.893928 -1.402858 -1.867611
H -0.734706 -0.275053 -2.618333
H -0.106042 -2.357686 -4.167586
H 0.745431 -3.769927 -3.379006
H -1.263734 -2.016844 0.626377
H -1.070726 0.674278 2.163278
H 0.175454 -0.592044 2.120865
H -1.412013 -0.918282 2.834116
H -3.389640 -2.714839 0.170560
H -2.785551 1.512517 0.848782
H 2.136439 0.034160 -1.865209
H 1.336933 2.241978 1.773388
H 4.521470 -0.136216 -1.230596
H 3.732623 2.063669 2.402015
H -5.823306 -2.330309 -0.068386
H -5.228482 1.882186 0.607128
H 6.056529 1.737394 1.595903
H 6.383124 0.862848 0.100139
H -6.752984 -0.032590 0.148232
H 5.736033 -1.320719 1.233492
H 7.057857 -0.509432 2.085871
H 5.412033 -0.444518 2.733429


%chk=000187618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187618

0 1
S -0.015692 1.317389 -0.645550
O 1.126906 -2.046015 -2.746548
O -0.761885 2.330303 0.407206
O -0.029383 1.694387 -2.236174
N -0.570285 -0.544628 -0.557572
C -0.305140 -2.245901 -2.301406
C -1.057028 -0.992124 -1.886584
C 0.069354 -2.477244 -3.735075
C -1.388375 -0.974808 0.631193
C -2.902224 -0.722372 0.543238
C -0.770326 -0.485266 1.959633
C 1.770089 1.149240 -0.075237
C -3.786166 -1.830496 0.492719
C -3.446981 0.588958 0.524173
C 2.613039 0.263641 -0.768150
C 2.191228 1.963054 0.986795
C 4.445052 0.996926 0.720700
C 3.960354 0.198475 -0.350890
C 3.545878 1.875759 1.379153
C -5.186415 -1.642627 0.431502
C -4.845111 0.777043 0.457595
C 5.890185 0.876335 1.180851
C -5.720216 -0.334404 0.412328
C 6.079807 -0.266118 2.216017
H -0.418493 -3.122179 -1.648283
H -2.150316 -1.183323 -1.885524
H -0.855565 -0.186778 -2.621514
H -0.192672 -1.716776 -4.481521
H 0.180054 -3.501689 -4.110453
H -1.245623 -2.078395 0.605803
H -0.912671 0.598435 2.101239
H 0.310189 -0.712559 1.986122
H -1.260004 -1.007014 2.799968
H -3.377633 -2.849967 0.509469
H -2.776683 1.456691 0.557302
H 2.236903 -0.359039 -1.587607
H 1.483804 2.638846 1.478009
H 4.644521 -0.483066 -0.870001
H 3.907561 2.503127 2.202247
H -5.854459 -2.510788 0.396250
H -5.252274 1.794397 0.440887
H 6.222650 1.830238 1.631900
H 6.547213 0.686105 0.311094
H -6.804262 -0.181753 0.361669
H 5.782446 -1.240573 1.788230
H 7.136483 -0.336483 2.531986
H 5.461763 -0.090661 3.115010


