%chk=000113092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000113092

0 1
S -4.393174 1.384576 0.621199
O -4.010055 1.842346 -0.694958
O -5.503485 1.981100 1.303362
O -3.023469 1.650094 1.561472
N -0.245512 0.558305 -1.129459
C 1.392494 1.846860 0.101463
C 1.870828 0.425464 -0.172434
C -0.036701 1.837315 -0.506313
C 0.871529 -0.282758 -0.852570
C -1.594486 0.014724 -1.386870
C 1.313377 2.134595 1.602676
C 2.252686 2.877178 -0.633640
C 3.098972 -0.198862 0.143062
C -0.908608 2.848396 -0.510804
C -2.147863 -0.789990 -0.194728
C 1.040454 -1.635000 -1.245478
C 3.276106 -1.560579 -0.247938
C 2.233911 -2.249291 -0.940661
C -3.653797 -1.057504 -0.330133
C 4.165852 0.465110 0.835700
C 4.510810 -2.218158 0.062822
C -4.496501 -0.356637 0.737069
C 5.333157 -0.193762 1.116771
C 5.510728 -1.555636 0.725552
H -2.278571 0.871456 -1.633174
H -1.546218 -0.621188 -2.298378
H 0.684600 1.399217 2.119172
H 2.305787 2.091802 2.067812
H 0.895934 3.127800 1.801225
H 2.289681 2.665148 -1.710510
H 1.857412 3.891840 -0.512780
H 3.285397 2.870943 -0.266896
H -0.678881 3.819070 -0.106641
H -2.344599 2.249877 1.178365
H -1.883307 2.805142 -0.984598
H -1.599849 -1.748465 -0.105498
H -1.919772 -0.256918 0.753896
H 0.252643 -2.154058 -1.782424
H 2.402129 -3.287190 -1.230740
H -3.838044 -2.150602 -0.262489
H -4.013144 -0.768315 -1.341925
H 4.020882 1.504654 1.130191
H 4.636528 -3.256799 -0.240724
H -5.550959 -0.703564 0.671111
H -4.178400 -0.702632 1.748396
H 6.145762 0.306579 1.641825
H 6.450334 -2.049383 0.963626


%chk=000113092-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113092

0 1
S -4.404697 1.549871 0.605564
O -4.204990 1.978068 -0.956929
O -5.576017 2.236448 1.474145
O -2.814977 1.716582 1.498437
N -0.275379 0.475696 -0.925593
C 1.370736 1.833793 0.163304
C 1.898460 0.416105 -0.115838
C -0.068043 1.764087 -0.415806
C 0.885837 -0.323434 -0.748951
C -1.576662 -0.065318 -1.349525
C 1.302991 2.157059 1.685823
C 2.179350 2.923061 -0.601127
C 3.164174 -0.187368 0.156990
C -0.986536 2.794912 -0.399897
C -2.228967 -0.951984 -0.243121
C 1.058666 -1.677391 -1.153694
C 3.355618 -1.575606 -0.247519
C 2.290618 -2.283061 -0.897858
C -3.774485 -1.081486 -0.391874
C 4.260931 0.483069 0.803725
C 4.611460 -2.217052 0.010615
C -4.587817 -0.387457 0.701712
C 5.470221 -0.173103 1.040156
C 5.653039 -1.535707 0.642126
H -2.245161 0.778654 -1.585287
H -1.444149 -0.645337 -2.282621
H 0.722176 1.390428 2.227428
H 2.313305 2.199243 2.127670
H 0.813864 3.134435 1.845755
H 2.205281 2.706495 -1.683174
H 1.713179 3.914430 -0.458641
H 3.219571 2.972819 -0.236166
H -0.668408 3.776294 -0.036278
H -2.114605 2.208436 0.887590
H -1.904979 2.775771 -0.998331
H -1.763518 -1.954029 -0.252692
H -1.989952 -0.501171 0.737128
H 0.258019 -2.228507 -1.656482
H 2.459817 -3.324075 -1.197224
H -4.070945 -2.148400 -0.345113
H -4.108814 -0.714288 -1.381424
H 4.147989 1.524441 1.117917
H 4.741242 -3.261297 -0.298868
H -5.677671 -0.520921 0.597916
H -4.255725 -0.603498 1.729400
H 6.290417 0.358353 1.535770
H 6.608139 -2.035761 0.834864


