%chk=000290031.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290031

0 1
S -2.359982 -0.926023 1.106059
O -1.434621 -0.901660 2.221188
O -3.296011 -2.018409 0.984525
O -4.074552 0.379293 -0.918672
O -5.605854 1.000322 0.632620
N 0.884567 -0.921399 -0.510080
N 2.157881 -0.433012 -0.477552
C -1.492549 -0.767614 -0.420152
C -0.140900 -0.154871 -0.243702
C -3.290786 0.595524 1.259488
C -0.091723 1.264851 0.199202
C -4.473940 0.686626 0.373337
C -0.191369 2.295998 -0.744835
C 0.075769 1.565802 1.559040
C -0.127485 3.628017 -0.325504
C 0.140249 2.898770 1.970680
C 3.223075 -1.394173 -0.538314
C 0.039263 3.929876 1.030095
C 4.512240 -0.943931 -0.185843
C 3.026071 -2.708471 -1.001347
C 5.594876 -1.815928 -0.311841
C 4.123413 -3.561696 -1.113451
C 5.407950 -3.122493 -0.772790
C -5.114843 0.313329 -1.931953
H -1.402387 -1.769744 -0.914761
H -2.074239 -0.186597 -1.178858
H -3.620505 0.724685 2.321102
H -2.626466 1.479920 1.106042
H -0.311842 2.058137 -1.801487
H 0.134719 0.750438 2.293473
H -0.203930 4.431540 -1.057121
H 0.270819 3.133731 3.026948
H 2.357879 0.439048 0.032589
H 0.092038 4.968892 1.353777
H 4.672588 0.067911 0.175409
H 2.026221 -3.052705 -1.265951
H 6.593846 -1.472201 -0.044345
H 3.976092 -4.581182 -1.470144
H 6.256350 -3.795707 -0.864699
H -5.591517 -0.670767 -1.860829
H -4.560089 0.434021 -2.867405
H -5.848415 1.114254 -1.784137


%chk=000290031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290031

0 1
S -2.326801 -1.200092 0.872747
O -1.175371 -1.174951 2.047443
O -3.204507 -2.559540 0.639591
O -4.531438 0.597490 -0.700036
O -5.999037 -0.052257 0.999433
N 0.911162 -0.883756 -0.706568
N 2.150742 -0.504232 -0.336552
C -1.388471 -0.466011 -1.024897
C -0.085428 0.026293 -0.661225
C -3.605711 0.236025 1.463885
C 0.104394 1.430099 -0.154246
C -4.843634 0.238731 0.623630
C 0.126366 2.530049 -1.051768
C 0.270457 1.663274 1.240569
C 0.310031 3.844701 -0.566074
C 0.455258 2.980524 1.720078
C 3.240696 -1.406762 -0.380360
C 0.476806 4.071946 0.820204
C 4.523260 -0.927298 -0.006347
C 3.065326 -2.756628 -0.780716
C 5.629629 -1.800838 -0.034531
C 4.181803 -3.615266 -0.803965
C 5.466735 -3.148061 -0.433894
C -5.673796 0.567292 -1.647830
H -1.429428 -1.432406 -1.544577
H -2.176338 0.253656 -1.278401
H -3.807659 -0.032663 2.509524
H -2.990950 1.142362 1.362854
H 0.001579 2.352964 -2.126381
H 0.210888 0.813057 1.931057
H 0.322578 4.687502 -1.265884
H 0.571739 3.153479 2.795654
H 2.319982 0.454550 0.008256
H 0.617606 5.091520 1.195757
H 4.652512 0.117064 0.304901
H 2.067285 -3.106807 -1.054471
H 6.617918 -1.428794 0.256292
H 4.047748 -4.658885 -1.108751
H 6.327068 -3.824972 -0.453557
H -6.109692 -0.444873 -1.679365
H -5.243262 0.846755 -2.619491
H -6.446144 1.288163 -1.332185


