%chk=000285404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285404

0 1
S -8.291036 -0.605172 1.052630
O 2.167788 -1.517155 -1.512619
O -1.300139 0.545375 1.370211
N 3.153447 1.017409 0.764889
N 3.458951 -0.113107 -0.065218
N -0.101025 -0.014345 -0.592252
N -2.425824 -0.184350 -0.598403
C 1.739517 1.192868 0.720018
C 1.197967 0.228292 -0.113297
C 2.267023 -0.609517 -0.654062
C 4.794973 -0.357908 -0.503757
C 3.837163 1.015721 2.088086
C 1.095248 2.315145 1.479512
C 5.150133 -1.664025 -0.927406
C 5.751037 0.690356 -0.534789
C -1.283275 0.141597 0.157045
C 6.465130 -1.911756 -1.372597
C 7.067216 0.420649 -0.965833
C 7.432538 -0.879332 -1.385177
C -3.774484 -0.250367 -0.156751
C -4.758224 -0.598856 -1.123037
C -4.173327 0.001471 1.185041
C -6.116864 -0.688817 -0.761676
C -5.535853 -0.103023 1.534481
C -6.516288 -0.438753 0.572237
C -8.795657 1.221026 1.031397
H 3.590872 1.954082 2.607646
H 4.926789 0.970341 1.941588
H 3.515843 0.156754 2.708921
H 0.327181 2.796934 0.851186
H 1.835157 3.081148 1.766531
H 0.566314 1.947182 2.375357
H -0.098764 -0.632331 -1.414775
H 4.396890 -2.455258 -0.924374
H 5.450240 1.706157 -0.258531
H 6.735208 -2.919923 -1.705195
H 7.802458 1.232661 -0.988833
H 8.453701 -1.083360 -1.724245
H -2.284754 -0.378852 -1.592151
H -4.460732 -0.802772 -2.160025
H -3.420128 0.268572 1.927582
H -6.868344 -0.958006 -1.510706
H -5.839261 0.070457 2.572700
H -8.679956 1.632444 0.017183
H -8.182330 1.787843 1.748337
H -9.854321 1.252906 1.334731


%chk=000285404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285404

0 1
S -8.416046 0.073283 0.862064
O 2.014129 -1.537954 -1.337771
O -1.430519 0.973195 1.455624
N 3.246977 0.823488 1.029873
N 3.469205 -0.166813 0.016040
N -0.097817 -0.418022 0.104646
N -2.406819 -0.649513 0.043202
C 1.843464 0.844658 1.302742
C 1.214951 -0.034504 0.431112
C 2.227555 -0.699728 -0.399769
C 4.699689 -0.213515 -0.708833
C 4.200399 0.777214 2.169344
C 1.344235 1.724902 2.411239
C 5.076858 -1.423248 -1.345141
C 5.522458 0.937744 -0.809298
C -1.316957 0.042404 0.602020
C 6.284634 -1.473089 -2.072257
C 6.736248 0.865125 -1.525072
C 7.124801 -0.338180 -2.158133
C -3.790871 -0.425198 0.269427
C -4.705236 -1.267605 -0.422192
C -4.292397 0.579432 1.141791
C -6.094667 -1.107235 -0.254765
C -5.685901 0.724177 1.304327
C -6.596076 -0.105215 0.608959
C -8.757981 1.516651 -0.316920
H 4.006056 1.646672 2.814939
H 5.231372 0.845175 1.791048
H 4.090418 -0.154212 2.759645
H 0.248028 1.789894 2.349248
H 1.776589 2.739489 2.333774
H 1.607637 1.318348 3.407387
H -0.077628 -1.112274 -0.658577
H 4.419090 -2.293316 -1.282902
H 5.192001 1.880745 -0.361978
H 6.571549 -2.406345 -2.568839
H 7.369408 1.755944 -1.601926
H 8.064781 -0.388310 -2.717845
H -2.196497 -1.417573 -0.598030
H -4.329670 -2.050454 -1.094301
H -3.592352 1.217944 1.682327
H -6.791827 -1.759821 -0.789938
H -6.070415 1.486370 1.990697
H -8.514312 1.225560 -1.349962
H -8.166893 2.394935 -0.015754
H -9.833453 1.739182 -0.229671


