%chk=000210295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210295

0 1
S 5.603963 -1.128338 0.582426
S 6.327778 0.557763 -0.346346
O -3.091255 0.377763 0.160861
O 5.289906 0.541293 -1.666416
O 5.997449 1.710213 0.418057
O 7.623944 0.299751 -0.877212
N 1.637517 -0.242693 0.713583
C -4.391812 0.184058 -0.455192
C -5.167996 1.427604 0.004011
C -5.015912 -1.119041 0.068820
C -6.643212 1.321644 -0.395895
C -6.492654 -1.209031 -0.332304
C -7.274957 0.026857 0.135016
C -2.017991 -0.397816 -0.420410
C -0.795543 0.028215 0.393496
C 0.492963 -0.557497 -0.197502
C 2.951280 -0.622485 0.105553
C 3.992168 -0.570259 1.221959
H -4.274961 0.161208 -1.558441
H -4.706089 2.336223 -0.423800
H -5.066120 1.532948 1.102893
H -4.911889 -1.149552 1.171701
H -4.459554 -1.994215 -0.309125
H -7.197494 2.197552 -0.008959
H -6.739068 1.362416 -1.497961
H -6.578952 -1.314405 -1.430833
H -6.941864 -2.123536 0.098683
H -7.303264 0.053135 1.241677
H -8.326888 -0.044062 -0.197664
H -2.242628 -1.472095 -0.309984
H -1.926818 -0.141204 -1.489963
H -0.754391 1.135765 0.435194
H -0.920064 -0.292747 1.449668
H 0.413013 -1.666487 -0.262581
H 0.644545 -0.182818 -1.233520
H 1.639245 0.760389 0.935444
H 2.874574 -1.656512 -0.302856
H 3.246784 0.030916 -0.750040
H 3.718490 -1.259363 2.052270
H 4.072748 0.439094 1.677019
H 5.681407 0.696250 -2.542125


%chk=000210295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210295

0 1
S 5.618602 -1.367715 0.700375
S 6.647957 0.609962 -0.393349
O -3.188333 0.440101 0.405842
O 6.425992 0.028363 -2.150340
O 5.639310 1.861371 -0.150127
O 8.232792 0.830284 -0.156091
N 1.667110 -0.175856 0.489545
C -4.511115 0.286907 -0.237386
C -5.394084 1.407841 0.335629
C -5.134421 -1.105154 0.013892
C -6.831406 1.336860 -0.235422
C -6.569060 -1.178996 -0.568175
C -7.464678 -0.054755 0.004707
C -2.113373 -0.324371 -0.231599
C -0.800655 0.111006 0.431215
C 0.421092 -0.616657 -0.162230
C 2.917947 -0.815823 0.064791
C 4.016404 -0.489460 1.092593
H -4.393233 0.434803 -1.338609
H -4.927876 2.386127 0.116634
H -5.419258 1.298023 1.437988
H -5.163453 -1.277941 1.108399
H -4.505936 -1.901089 -0.430200
H -7.454667 2.128188 0.222929
H -6.806727 1.542312 -1.325901
H -6.523994 -1.081976 -1.673252
H -7.009180 -2.171821 -0.354398
H -7.595210 -0.213195 1.095041
H -8.472727 -0.100089 -0.450851
H -2.268183 -1.417861 -0.098000
H -2.093968 -0.112658 -1.326154
H -0.692245 1.206420 0.304083
H -0.858455 -0.086311 1.516827
H 0.324104 -1.710143 -0.006240
H 0.451486 -0.455048 -1.268836
H 1.737091 0.844339 0.596297
H 2.750473 -1.909467 0.029312
H 3.264919 -0.508265 -0.949447
H 3.723687 -0.779835 2.118779
H 4.238755 0.598578 1.094245
H 7.080913 0.539903 -2.713314


