%chk=000103725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000103725

0 1
S -2.170382 -2.005711 1.809595
S 0.315012 3.323293 -1.048231
S 1.643507 0.796013 -0.445775
O 0.939515 2.373940 0.090417
O 1.326508 3.606316 -2.049917
O -0.340568 4.426193 -0.375480
N -2.510922 -0.934070 -0.583621
N 3.390626 -1.156509 -0.359326
C -2.068331 0.100288 -1.563467
C -1.672363 1.427931 -0.889505
C -3.696068 -0.660099 0.180167
C -1.539387 -1.656384 0.164437
C -3.690121 -1.203842 1.486783
C -0.926463 2.332302 -1.860821
C -0.356286 -2.170841 -0.202336
C 2.201716 -0.799294 -0.904274
C 3.935989 -0.134977 0.484125
C -4.825561 0.023115 -0.285208
C 0.240931 -2.174368 -1.542541
C 4.057990 -2.476030 -0.525127
C 3.111881 1.005975 0.537444
C 1.435879 -1.614617 -1.821893
C -4.778680 -1.079386 2.334381
C -5.925898 0.144850 0.571748
C -5.908138 -0.394687 1.863359
C 5.144771 -0.179486 1.204828
C -0.516114 -2.940592 -2.582013
C 3.462662 2.118479 1.304699
C 3.753120 -3.397413 0.650603
C 5.489815 0.934439 1.961396
C 4.658615 2.074641 2.013520
H -1.211651 -0.307214 -2.146108
H -2.896278 0.257803 -2.289870
H -1.057723 1.211889 0.017606
H -2.572773 1.945507 -0.498469
H -0.445017 1.749023 -2.671734
H -1.640281 2.991300 -2.393275
H 0.255687 -2.692433 0.542481
H -4.855007 0.446926 -1.285487
H 3.711337 -2.936610 -1.479819
H 5.156071 -2.315021 -0.628073
H 1.873582 -1.696758 -2.822499
H -4.762370 -1.498054 3.339993
H -6.813712 0.674521 0.223250
H 5.786718 -1.054203 1.171262
H -6.776666 -0.281254 2.509690
H -0.386790 -4.023805 -2.431097
H -1.600200 -2.753257 -2.517214
H -0.201457 -2.712079 -3.607210
H 2.794679 2.988414 1.333151
H 4.057352 -2.956180 1.609974
H 2.680222 -3.618718 0.728514
H 4.278816 -4.354852 0.547571
H 6.420334 0.933133 2.529069
H 4.962871 2.928554 2.618023


%chk=000103725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103725

0 1
S -3.083137 -1.951008 1.922510
S 0.201708 3.465604 -0.078984
S 1.552752 0.075889 0.603554
O 0.589274 2.455398 1.213400
O 1.528516 4.026258 -0.866733
O -0.983140 4.534803 0.286866
N -2.783374 -0.827315 -0.471427
N 3.622294 -1.394940 -0.248875
C -2.065762 0.114351 -1.398828
C -1.699157 1.417905 -0.642644
C -4.136825 -0.573757 -0.116034
C -2.063887 -1.572722 0.452169
C -4.490253 -1.094616 1.157767
C -0.645828 2.247647 -1.374492
C -0.713419 -1.961678 0.377818
C 2.241059 -1.439099 -0.182288
C 4.212056 -0.219957 0.296282
C -5.089574 0.141264 -0.874780
C 0.003433 -2.420928 -0.769536
C 4.455356 -2.482801 -0.818399
C 3.249378 0.710375 0.768497
C 1.419222 -2.388921 -0.840626
C -5.775503 -0.919225 1.697348
C -6.383839 0.314401 -0.340992
C -6.728388 -0.210140 0.930130
C 5.590275 0.087820 0.372078
C -0.738562 -3.052436 -1.941831
C 3.609961 1.966351 1.282193
C 4.843055 -3.535217 0.240134
C 5.962752 1.339244 0.907220
C 4.987769 2.271642 1.348404
H -1.155978 -0.384214 -1.759388
H -2.711359 0.299658 -2.274064
H -1.270329 1.140063 0.342121
H -2.598807 2.028453 -0.448322
H 0.205840 1.654139 -1.746012
H -1.029760 2.932566 -2.146179
H -0.181694 -1.984734 1.337407
H -4.834536 0.559856 -1.852184
H 3.903740 -2.953777 -1.648492
H 5.352881 -2.019002 -1.261390
H 1.895011 -3.058520 -1.568374
H -6.034296 -1.314678 2.683857
H -7.130137 0.869090 -0.918348
H 6.356436 -0.613824 0.028438
H -7.737090 -0.060440 1.327325
H -0.297281 -4.039608 -2.175394
H -1.808498 -3.200541 -1.725186
H -0.648287 -2.441240 -2.860535
H 2.820696 2.665309 1.577883
H 5.407868 -3.074710 1.068954
H 3.945311 -4.019519 0.661365
H 5.475883 -4.316157 -0.218066
H 7.025508 1.596261 0.970780
H 5.301664 3.247476 1.731599


