%chk=000271592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271592

0 1
S 4.869957 -0.089444 -1.299312
O 5.555411 -1.344269 -0.977135
O 4.866817 0.393606 -2.660659
O -4.500522 3.540326 0.846172
O 8.174944 -0.412680 -1.441605
O 7.216067 0.049426 2.456793
O -2.645586 -2.181758 0.515400
O -6.276052 1.767544 0.297173
N 5.600779 1.148711 -0.337635
N -0.657273 -0.480700 0.805236
C -3.016872 0.158721 0.544062
C 6.932229 1.602613 -0.814834
C 5.425372 1.066173 1.129305
C 3.264229 -0.179000 -0.696430
C -4.017149 1.176300 0.545274
C -1.678411 0.505888 0.759778
C -4.831109 -1.537134 -0.084447
C -5.798499 -0.515904 -0.110271
C -3.426772 -1.258697 0.335514
C 0.632370 -0.343046 0.260634
C -5.428878 0.875700 0.256319
C 2.863971 -1.278287 0.079564
C 2.330926 0.811182 -1.025006
C -3.647032 2.501620 0.806081
C 8.124169 0.671852 -0.518748
C 5.956442 -0.204808 1.823269
C 1.567100 -1.369918 0.562034
C 1.022981 0.743150 -0.553983
C -1.327328 1.873414 1.040104
C -2.280826 2.850739 1.062929
C -5.188047 -2.841765 -0.441606
C -7.113654 -0.805728 -0.488469
C -6.505234 -3.127234 -0.826135
C -7.464701 -2.113843 -0.848145
H 6.859036 1.755262 -1.923228
H 7.133317 2.606668 -0.378298
H 4.335764 1.182918 1.339347
H 5.915834 1.956054 1.592131
H -0.973268 -1.449606 1.028851
H 3.585472 -2.076473 0.302384
H 2.625596 1.648135 -1.670402
H 8.126862 0.292229 0.521405
H 9.078812 1.201303 -0.708508
H 5.243286 -0.587678 2.572552
H 6.206557 -1.025634 1.110337
H 1.267533 -2.227282 1.162467
H 0.304545 1.500706 -0.859091
H -0.282424 2.113523 1.262821
H -2.048013 3.896225 1.279490
H -4.431523 -3.633039 -0.414366
H -7.859059 -0.003754 -0.499800
H -6.777489 -4.146153 -1.106465
H -8.490896 -2.336390 -1.144857
H -5.489652 3.255240 0.664743
H 7.480628 -1.099172 -1.228255
H 7.109062 0.658868 3.212422


%chk=000271592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271592

0 1
S 5.143278 0.023937 -1.274308
O 5.708987 -1.521345 -1.087335
O 5.280293 0.792376 -2.695983
O -4.796887 3.522180 0.845458
O 8.318641 -0.327314 -1.486799
O 7.549404 -0.052636 2.634231
O -2.633698 -2.128832 -0.146783
O -6.523486 1.746914 0.556014
N 5.850947 1.189986 0.013408
N -0.789745 -0.334488 -0.000110
C -3.157928 0.210388 0.193875
C 7.228760 1.634200 -0.357649
C 5.506227 0.810768 1.406971
C 3.327959 -0.036305 -0.809289
C -4.189981 1.192770 0.404409
C -1.778121 0.622004 0.205211
C -4.969377 -1.556119 -0.059454
C -5.984517 -0.569410 0.127506
C -3.528827 -1.196147 -0.012879
C 0.584706 -0.170610 -0.263001
C -5.608255 0.833914 0.373549
C 2.823192 -1.195225 -0.193274
C 2.509684 1.036021 -1.204873
C -3.847926 2.559982 0.647943
C 8.383828 0.596510 -0.356511
C 6.213168 -0.376096 2.113343
C 1.445614 -1.254718 0.082992
C 1.130765 0.966840 -0.930151
C -1.469927 1.997227 0.502309
C -2.471897 2.937449 0.716133
C -5.342447 -2.904690 -0.287907
C -7.352234 -0.941537 0.083401
C -6.702779 -3.266151 -0.332907
C -7.710487 -2.283103 -0.146793
H 7.153559 2.070066 -1.370779
H 7.463775 2.452734 0.352841
H 4.415720 0.616610 1.418916
H 5.656080 1.735452 2.003203
H -1.198966 -1.305874 -0.035720
H 3.493862 -2.028647 0.039545
H 2.934692 1.884073 -1.750773
H 8.448710 0.076274 0.616656
H 9.321822 1.160677 -0.508857
H 5.554960 -0.728716 2.936704
H 6.365373 -1.209878 1.409364
H 1.022329 -2.139782 0.569681
H 0.475862 1.763503 -1.291921
H -0.426011 2.302046 0.605414
H -2.233926 3.977678 0.955644
H -4.547956 -3.643830 -0.426655
H -8.106437 -0.163010 0.232375
H -6.984929 -4.308882 -0.512598
H -8.766664 -2.569802 -0.182238
H -5.728524 3.037321 0.772974
H 7.593463 -1.002396 -1.351786
H 7.466071 0.600341 3.374165


