%chk=000216829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216829

0 1
S 0.594362 0.207364 -1.888582
S 4.032183 0.133489 -2.401063
P 2.541371 0.039436 -1.204358
O -1.953552 0.318770 -1.943703
O 2.482542 1.175529 0.000794
O 2.378985 -1.357148 -0.327054
N -2.750367 0.076757 0.194894
C -2.499006 -0.122593 1.656960
C -4.184730 0.191753 -0.255585
C -1.729868 0.155994 -0.750507
C -3.031980 1.072740 2.456899
C -3.121903 -1.442338 2.129241
C -4.429286 1.561557 -0.895259
C -4.529827 -0.949232 -1.217064
C -0.292115 0.037451 -0.290691
C 3.732838 1.789393 0.440058
C 3.571836 -2.159329 -0.068859
C 3.273393 2.778579 1.496221
C 3.023387 -3.345240 0.704363
H -1.390318 -0.184064 1.826984
H -4.826199 0.099844 0.661790
H -4.123831 1.158074 2.404388
H -2.619913 2.018959 2.084940
H -2.764615 0.986293 3.515884
H -4.216408 -1.435066 2.064941
H -2.772682 -2.288644 1.524876
H -2.860336 -1.647977 3.173125
H -3.825017 1.684140 -1.810437
H -4.163292 2.381404 -0.221541
H -5.477797 1.682665 -1.183229
H -3.928260 -0.884278 -2.139889
H -4.335559 -1.930611 -0.774411
H -5.581776 -0.911305 -1.515293
H -0.074217 -0.938797 0.189820
H -0.000966 0.838830 0.419562
H 4.396282 1.011582 0.858923
H 4.218818 2.295818 -0.417362
H 4.027046 -2.467661 -1.030903
H 4.289020 -1.568544 0.528815
H 2.536195 3.480362 1.080074
H 2.784275 2.269435 2.336287
H 4.113157 3.362654 1.888952
H 2.565515 -3.029648 1.650371
H 2.238526 -3.857544 0.129312
H 3.809891 -4.074452 0.928516


%chk=000216829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216829

0 1
S 0.782879 0.392342 -1.911056
S 4.512836 0.227396 -1.998866
P 2.779530 -0.054924 -0.903650
O -1.939124 0.749979 -1.919710
O 2.735586 0.778174 0.648235
O 2.430760 -1.647193 -0.288081
N -2.685619 0.092253 0.196618
C -2.398301 -0.452217 1.561450
C -4.115235 0.424665 -0.138401
C -1.699532 0.291440 -0.750416
C -2.734522 0.578748 2.666154
C -3.106873 -1.808411 1.794394
C -4.303375 1.933587 -0.421958
C -4.657669 -0.462288 -1.283705
C -0.255152 -0.062475 -0.376766
C 3.510051 2.041302 0.802818
C 3.534308 -2.368304 0.414867
C 2.788245 3.243584 0.187696
C 2.979262 -3.742622 0.777131
H -1.312420 -0.639683 1.607943
H -4.687373 0.181278 0.776605
H -3.816143 0.801695 2.703698
H -2.192508 1.526121 2.498458
H -2.441228 0.179789 3.654001
H -4.206680 -1.703195 1.787833
H -2.825149 -2.539308 1.016231
H -2.816375 -2.218318 2.778616
H -3.753389 2.228153 -1.329568
H -3.943140 2.543631 0.425993
H -5.377024 2.150127 -0.572877
H -4.112416 -0.260173 -2.219011
H -4.555815 -1.534572 -1.037432
H -5.729581 -0.244540 -1.444730
H -0.109211 -1.137053 -0.182898
H 0.134724 0.517873 0.475981
H 3.606587 2.139507 1.897438
H 4.514055 1.902484 0.356371
H 4.401757 -2.440426 -0.268761
H 3.823662 -1.788449 1.311700
H 2.730894 3.160811 -0.911424
H 1.762434 3.334770 0.585255
H 3.338406 4.171733 0.432363
H 2.107775 -3.650051 1.447831
H 2.669266 -4.288129 -0.130093
H 3.756640 -4.334711 1.294921


