%chk=000230704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230704

0 1
S -0.831588 0.321832 -1.690722
O -0.957165 1.687580 -2.194574
O -0.959694 -0.766142 -2.643041
O -1.010353 -1.845169 0.210329
O 5.145363 -1.440803 0.642288
O 4.993887 0.503306 1.577468
N 4.565526 -0.391681 0.867969
C 0.733425 0.169261 -0.917730
C -1.989546 0.157165 -0.414568
C 1.248939 1.164759 -0.077612
C -2.031795 -0.957344 0.432610
C -2.963328 1.153249 -0.257169
C 1.470099 -0.988753 -1.190598
C -3.953743 1.042527 0.723413
C 2.517688 0.973944 0.509878
C 3.229034 -0.192572 0.234898
C -3.020219 -1.098040 1.423869
C 2.726885 -1.185208 -0.616551
C 0.497369 2.414627 0.215664
C -3.974490 -0.094718 1.556808
C -4.991543 2.103592 0.887620
C -1.010078 -3.100265 0.937803
H -2.941065 2.030254 -0.919873
H 1.054137 -1.753091 -1.864801
H 2.945076 1.733285 1.172456
H -3.048060 -1.967891 2.072292
H 3.312445 -2.085107 -0.823670
H 1.104848 3.180072 0.716777
H 0.109738 2.886895 -0.715187
H -0.377615 2.228608 0.857151
H -4.751751 -0.188793 2.318062
H -4.816079 2.972185 0.237743
H -5.993513 1.721775 0.640931
H -5.028241 2.479959 1.919504
H -1.920117 -3.666222 0.716484
H -0.884498 -2.916007 2.008284
H -0.127180 -3.599967 0.514799


%chk=000230704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230704

0 1
S -0.820626 0.297791 -1.730913
O -1.018852 1.818169 -2.313851
O -0.909642 -0.966105 -2.759199
O -1.130735 -1.980654 0.277624
O 5.443550 -1.359932 0.411496
O 5.221722 0.626971 1.507841
N 4.779685 -0.298434 0.724188
C 0.897077 0.180388 -0.885739
C -2.101103 0.120611 -0.338992
C 1.371758 1.206917 -0.033124
C -2.134382 -1.035836 0.473538
C -3.041695 1.154443 -0.234539
C 1.626728 -0.964324 -1.240466
C -4.082972 1.067094 0.723260
C 2.675871 1.015562 0.488412
C 3.417465 -0.135036 0.147842
C -3.172446 -1.125204 1.435642
C 2.922212 -1.134114 -0.716558
C 0.573872 2.443774 0.326690
C -4.123218 -0.088212 1.545628
C -5.127212 2.161738 0.849305
C -1.194843 -3.225946 1.053027
H -2.949941 2.013359 -0.910568
H 1.170626 -1.693873 -1.918373
H 3.121213 1.757015 1.157720
H -3.241964 -1.994943 2.095578
H 3.538626 -2.003208 -0.957406
H 1.177318 3.133489 0.938237
H 0.230945 2.965535 -0.583283
H -0.333363 2.180872 0.902419
H -4.919507 -0.181878 2.294013
H -4.880653 3.028979 0.214425
H -6.126106 1.797958 0.542925
H -5.215496 2.519025 1.891820
H -2.137792 -3.767679 0.851766
H -1.093009 -3.025974 2.136555
H -0.340314 -3.821238 0.702064


