%chk=000291486.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291486

0 1
S -2.507638 -1.751164 -1.080062
O -3.683313 -1.852336 -1.918387
O -1.450813 -2.731851 -1.162452
N 2.853653 -0.587595 0.041722
N 3.176191 1.699147 0.111275
N -1.873579 -0.199308 -1.501069
C 1.650352 0.004150 -0.379973
C 1.879603 1.410345 -0.332117
C 0.834540 2.312014 -0.726593
C -0.407724 1.757517 -1.133967
C -0.596456 0.301850 -1.139636
C 0.418923 -0.561719 -0.788142
C 3.767686 0.504022 0.335617
C 1.024352 3.720345 -0.716476
C -1.440124 2.655054 -1.525363
C 3.229610 -1.927035 0.178631
C 5.082595 0.159588 0.791284
C 0.002560 4.560469 -1.103158
C -1.241723 4.020446 -1.511392
C -2.982015 -1.551053 0.565522
C 4.495142 -2.205865 0.615709
C 5.426281 -1.153479 0.924825
C -4.337130 -1.385981 0.875218
C -2.025666 -1.559808 1.586204
C -4.735685 -1.225368 2.204730
C -2.422814 -1.397300 2.916790
C -3.777224 -1.229413 3.224717
H 0.324691 -1.649410 -0.856557
H -2.431208 0.410152 -2.117562
H 1.995482 4.108962 -0.397938
H -2.405826 2.258384 -1.840721
H 2.486282 -2.687426 -0.077331
H 5.765080 0.981427 1.013016
H 0.139466 5.641058 -1.099989
H -2.039018 4.697444 -1.814225
H 4.821163 -3.238235 0.733777
H 6.421027 -1.439666 1.268550
H -5.088454 -1.388211 0.076106
H -0.964616 -1.695079 1.351686
H -5.790304 -1.098027 2.446024
H -1.677408 -1.400319 3.711460
H -4.087342 -1.101927 4.263145


%chk=000291486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291486

0 1
S -2.163938 -1.829575 -0.673304
O -1.127314 -3.108362 -0.783813
O -1.051472 -0.329356 -0.216386
N 2.074783 -0.726737 -0.162223
N 3.062022 1.347278 0.127450
N -1.484086 1.030053 -3.011645
C 1.219658 0.221111 -0.724274
C 1.838411 1.467833 -0.523513
C 1.188294 2.704700 -0.949141
C -0.043491 2.607539 -1.677725
C -0.595539 1.266968 -2.073020
C -0.101910 0.004567 -1.344319
C 3.207399 0.006783 0.350412
C 1.736879 3.974488 -0.647203
C -0.710560 3.803213 -2.046912
C 1.953909 -2.104289 -0.036529
C 4.250283 -0.727248 0.973955
C 1.067158 5.150162 -1.040768
C -0.165330 5.065712 -1.735018
C -2.820121 -1.917403 1.086812
C 2.984097 -2.802606 0.581826
C 4.140855 -2.117403 1.083802
C -2.413361 -3.005063 1.878169
C -3.708591 -0.924996 1.544715
C -2.919614 -3.100770 3.193874
C -4.205963 -1.033562 2.863755
C -3.812978 -2.118442 3.683896
H -0.115871 -0.836694 -2.064890
H -1.817997 1.895224 -3.488538
H 2.683706 4.013097 -0.099667
H -1.672388 3.753646 -2.572394
H 1.034396 -2.567205 -0.411556
H 5.112672 -0.175347 1.355139
H 1.494892 6.129929 -0.802312
H -0.697441 5.978024 -2.024661
H 2.892578 -3.886968 0.683417
H 4.940725 -2.691240 1.561940
H -1.717677 -3.742633 1.460725
H -3.995090 -0.082740 0.906215
H -2.618261 -3.937430 3.832999
H -4.892168 -0.272075 3.248988
H -4.202961 -2.197384 4.704618


