%chk=000273204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273204

0 1
S 6.908784 -2.594339 0.059688
F 7.885047 -2.066447 1.187302
O 2.840411 2.884676 -0.893241
O 5.955338 -3.376827 0.787890
O 7.794225 -3.152702 -0.914479
N -4.752624 -0.419797 0.115844
N -5.376025 -2.647627 -0.843086
N -7.079296 -1.009853 -0.200550
N -6.544580 1.169711 0.496863
N -7.665721 -3.061784 -1.244467
N 3.170074 0.895247 0.215897
C -4.261817 -1.770032 -0.474971
C -3.778601 0.619881 0.368446
C -3.430548 -1.473700 -1.731948
C -3.428785 -2.465708 0.611638
C -0.862061 3.687480 1.154991
C -1.882035 2.615667 0.883913
C -6.127026 -0.124651 0.128429
C 0.419445 3.493378 0.334102
C -3.535890 1.618848 -0.591946
C -3.084967 0.623789 1.588481
C -2.590970 2.608594 -0.329618
C -2.136880 1.618655 1.836852
C 1.179259 2.224118 0.742731
C -6.633651 -2.250672 -0.747574
C 2.447623 2.082045 -0.072261
C 4.402560 0.497904 -0.388618
C 4.993268 -0.699976 0.061917
C 6.196787 -1.125975 -0.502924
C 5.031621 1.252010 -1.402464
C 6.819273 -0.387940 -1.509592
C 6.229291 0.803142 -1.953596
H -2.522689 -0.906615 -1.512099
H -4.010213 -0.921428 -2.481086
H -3.132864 -2.419222 -2.209471
H -3.987319 -2.564758 1.549333
H -2.491544 -1.943035 0.816476
H -3.181334 -3.487538 0.285793
H -0.616827 3.735246 2.235607
H -1.296347 4.683541 0.918865
H 1.079650 4.378059 0.452449
H 0.181549 3.451422 -0.749500
H -4.090177 1.617210 -1.531798
H -3.285534 -0.144813 2.335049
H -2.401508 3.382488 -1.073725
H -1.599623 1.619042 2.784163
H 1.418731 2.258145 1.825818
H 0.519885 1.339356 0.604325
H -5.973593 1.686393 1.151686
H -7.544754 1.277174 0.650017
H -8.597380 -2.873800 -0.899720
H -7.447416 -4.040349 -1.377039
H 2.794710 0.247797 0.912727
H 4.512498 -1.299634 0.841956
H 4.577924 2.188766 -1.756342
H 7.755697 -0.733231 -1.959466
H 6.712151 1.385768 -2.740668


%chk=000273204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273204

0 1
S 5.885861 -3.189465 -0.711031
F 6.303198 -3.598988 1.052952
O 3.411495 3.369099 0.378959
O 4.448477 -3.856597 -0.981569
O 7.188500 -3.566152 -1.570676
N -4.572966 -0.433052 -0.087076
N -4.780042 -2.897206 -0.292862
N -6.656117 -1.508795 0.470012
N -6.410662 0.784204 0.807360
N -6.722368 -3.835188 0.629741
N 3.024801 1.054421 0.302951
C -4.133662 -1.702583 -0.858701
C -3.696633 0.692951 0.102492
C -4.551151 -1.548789 -2.348371
C -2.609420 -1.880200 -0.723873
C -0.934083 4.047855 0.712404
C -1.916569 2.901408 0.513093
C -5.882035 -0.420142 0.386333
C 0.492421 3.736227 0.178848
C -3.322207 1.530595 -0.981597
C -3.186027 0.979857 1.395379
C -2.438921 2.611472 -0.775240
C -2.314417 2.072003 1.594140
C 1.160749 2.551194 0.914583
C -5.989753 -2.731899 0.228756
C 2.626099 2.385731 0.505057
C 4.311829 0.562315 -0.031393
C 4.457332 -0.843704 -0.177575
C 5.725731 -1.335611 -0.505663
C 5.445207 1.405287 -0.220141
C 6.870147 -0.548510 -0.702738
C 6.696491 0.846666 -0.553555
H -4.005077 -0.725364 -2.844392
H -5.637166 -1.361661 -2.424014
H -4.326242 -2.489075 -2.881036
H -2.327919 -1.965355 0.339495
H -2.048008 -1.051990 -1.189645
H -2.339720 -2.824665 -1.223845
H -0.866598 4.303759 1.787691
H -1.302348 4.953032 0.191853
H 1.136600 4.626491 0.296070
H 0.442123 3.515372 -0.905062
H -3.732891 1.334891 -1.977403
H -3.476913 0.336406 2.232750
H -2.162121 3.248965 -1.624467
H -1.935170 2.281917 2.602023
H 1.145727 2.753558 2.005391
H 0.582407 1.621578 0.753801
H -5.924821 1.665528 0.666142
H -7.347411 0.759433 1.201849
H -7.608688 -3.689594 1.102982
H -6.337075 -4.764206 0.488560
H 2.293087 0.348806 0.418427
H 3.611461 -1.529527 -0.051540
H 5.321982 2.483682 -0.107053
H 7.833863 -0.993543 -0.964946
H 7.554817 1.510256 -0.697633


