%chk=000257651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257651

0 1
S -2.729796 -1.358684 0.780433
S 2.691307 -1.379595 0.859608
O -2.916196 -0.091370 -0.342346
O 2.920214 -0.113902 -0.257125
O -3.782935 -2.300743 0.504485
O -2.581120 -0.764194 2.075881
O 2.509447 -0.783796 2.150213
O 3.744752 -2.329800 0.614456
N -7.447165 3.145890 -0.500648
N 7.478970 3.087923 -0.282965
C -1.221809 -1.951326 0.193975
C 1.196565 -1.960652 0.229294
C -0.018218 -1.474282 0.722017
C -1.210386 -2.912594 -0.826598
C 1.207537 -2.921918 -0.791288
C 0.004129 -3.400287 -1.316749
C -4.074874 0.670484 -0.297133
C 4.082991 0.638897 -0.178080
C -5.338643 0.080531 -0.436487
C -3.902594 2.058177 -0.196345
C 5.345644 0.039095 -0.280609
C 3.918668 2.027903 -0.082199
C -6.311571 2.306040 -0.370589
C 6.333557 2.256960 -0.186138
C -6.460186 0.903686 -0.466910
C -5.026661 2.878149 -0.235144
C 6.473979 0.853480 -0.278243
C 5.049745 2.839083 -0.088131
H -0.027189 -0.726325 1.533855
H -2.157034 -3.289627 -1.237761
H 2.162853 -3.306284 -1.174674
H 0.012813 -4.149830 -2.109343
H -5.440230 -1.006321 -0.511931
H -2.901293 2.474018 -0.095408
H 5.440914 -1.048524 -0.353178
H 2.918122 2.451548 -0.010444
H -7.448655 0.463120 -0.578072
H -4.910551 3.957548 -0.170729
H 7.461803 0.405208 -0.360605
H 4.940224 3.919363 -0.027010
H -7.358402 4.071468 -0.105404
H -8.335587 2.725084 -0.267059
H 8.356904 2.660212 -0.023674
H 7.385958 4.014184 0.109698


%chk=000257651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257651

0 1
S -2.860377 -1.141445 1.069077
S 2.802507 -1.133420 1.175303
O -3.223563 0.458449 -0.408263
O 3.225979 0.449307 -0.306071
O -3.968816 -2.311230 0.747288
O -2.597128 -0.667818 2.617167
O 2.476778 -0.654021 2.709822
O 3.924258 -2.303432 0.903063
N -8.412630 2.518610 -0.560578
N 8.444784 2.438026 -0.333260
C -1.200990 -1.734415 0.378415
C 1.172218 -1.731482 0.422787
C -0.025805 -1.255536 0.979825
C -1.218531 -2.625266 -0.708115
C 1.232437 -2.622249 -0.662307
C 0.017601 -3.077780 -1.225091
C -4.483362 0.932980 -0.415706
C 4.491620 0.906820 -0.282858
C -5.534229 0.233251 -1.108182
C -4.808049 2.160244 0.262980
C 5.554565 0.179211 -0.926735
C 4.811311 2.143608 0.380969
C -7.131533 1.996649 -0.508412
C 7.155729 1.933917 -0.311833
C -6.826884 0.756994 -1.161155
C -6.097049 2.690258 0.204764
C 6.855276 0.684861 -0.948316
C 6.108415 2.655816 0.353098
H -0.042520 -0.587013 1.847735
H -2.173288 -2.971536 -1.116080
H 2.202441 -2.966356 -1.034539
H 0.034128 -3.781407 -2.063319
H -5.288550 -0.719829 -1.586723
H -4.009812 2.667616 0.814611
H 5.311450 -0.780522 -1.393042
H 4.002754 2.672634 0.896042
H -7.620093 0.219903 -1.694943
H -6.331077 3.634982 0.710158
H 7.657846 0.126220 -1.444673
H 6.338900 3.608046 0.845887
H -8.643369 3.388759 -0.086751
H -9.159300 2.025639 -1.044703
H 9.200006 1.924851 -0.781828
H 8.671956 3.315104 0.129387


