%chk=000097639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000097639

0 1
S -2.230352 1.324216 -1.839817
S 3.431352 1.355080 1.974118
P -2.583725 0.025540 -0.421367
P 2.710635 0.351297 0.474224
N -1.125886 -0.767599 0.166308
N 0.967706 0.556136 0.374036
N -3.437381 0.681301 0.985117
N -3.629527 -1.278924 -0.986255
N 2.950464 -1.403875 0.555125
N 3.486835 0.798033 -1.047324
C 0.183670 -0.409313 -0.451567
C -1.061000 -1.007651 1.633229
C 0.559126 1.978639 0.233872
C -4.888332 0.899839 0.704076
C -2.801244 1.945583 1.459259
C -3.247670 -1.771381 -2.340064
C -3.757365 -2.400216 -0.010828
C 4.390751 -1.753149 0.364165
C 2.437463 -1.946517 1.848128
C 3.770032 2.251938 -1.186419
C 2.826341 0.238214 -2.258043
H 0.025611 -0.041281 -1.499475
H 0.739701 -1.386274 -0.521865
H -0.894982 -0.096046 2.236536
H -0.201746 -1.681916 1.846790
H -1.977775 -1.503014 1.992326
H 1.287051 2.682984 0.676565
H -0.378101 2.130422 0.814283
H 0.353570 2.284751 -0.807172
H -5.381148 1.210141 1.642777
H -5.375687 -0.040753 0.386368
H -5.110772 1.669422 -0.056797
H -1.696793 1.843865 1.553912
H -3.184749 2.159923 2.473635
H -3.003541 2.834610 0.833562
H -4.014800 -2.490825 -2.679524
H -2.269409 -2.275166 -2.402628
H -3.265853 -0.939599 -3.073543
H -4.072215 -2.023139 0.979068
H -2.849561 -3.014627 0.118613
H -4.562964 -3.072730 -0.359140
H 4.477234 -2.852752 0.309454
H 5.071040 -1.406749 1.163053
H 4.766819 -1.357414 -0.598613
H 2.918985 -1.546125 2.759597
H 2.582965 -3.041056 1.854700
H 1.340774 -1.772357 1.928990
H 2.886144 2.892454 -1.336555
H 4.436972 2.396391 -2.056218
H 4.332883 2.627195 -0.307234
H 2.680276 -0.852454 -2.155970
H 3.505410 0.374890 -3.121400
H 1.865365 0.707636 -2.530668


%chk=000097639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097639

0 1
S -2.356460 1.468383 -2.019989
S 3.869039 1.729044 1.854845
P -2.618252 0.100083 -0.446684
P 2.857002 0.574270 0.424538
N -1.126253 -0.180426 0.458548
N 1.104241 0.829528 0.465055
N -3.719530 0.532813 0.874942
N -3.353675 -1.394628 -1.005407
N 2.937917 -1.196306 0.609541
N 3.504094 0.808985 -1.192256
C 0.163867 -0.079173 -0.242223
C -1.110225 -0.824973 1.784511
C 0.664524 2.239872 0.578256
C -5.166070 0.533293 0.543239
C -3.325356 1.714079 1.682748
C -3.364798 -1.747658 -2.433592
C -3.537640 -2.521656 -0.073281
C 4.196048 -1.839915 0.156559
C 2.521399 -1.681190 1.951252
C 4.463560 1.882646 -1.488587
C 2.817187 0.224830 -2.358060
H -0.056806 0.293122 -1.264514
H 0.659386 -1.068121 -0.301293
H -0.426474 -0.267968 2.452153
H -0.762478 -1.877817 1.724978
H -2.120639 -0.805541 2.222481
H 1.387751 2.794396 1.200178
H -0.322666 2.267340 1.068219
H 0.567564 2.731351 -0.411291
H -5.741813 0.457954 1.483879
H -5.403476 -0.332944 -0.093362
H -5.473824 1.458776 0.010328
H -2.261216 1.653103 1.957265
H -3.926275 1.719880 2.610043
H -3.495610 2.669171 1.140720
H -4.357053 -2.157346 -2.707557
H -2.592714 -2.507895 -2.680236
H -3.177458 -0.843973 -3.038305
H -3.679201 -2.149143 0.954668
H -2.678406 -3.227221 -0.086665
H -4.446150 -3.086563 -0.359474
H 4.015543 -2.926567 0.063352
H 5.032206 -1.678074 0.871832
H 4.493184 -1.440850 -0.824953
H 3.319474 -1.530488 2.709562
H 2.287080 -2.759584 1.885153
H 1.624901 -1.138845 2.285735
H 3.991223 2.703826 -2.068111
H 5.313288 1.481653 -2.076984
H 4.851475 2.297929 -0.542607
H 2.239436 -0.665938 -2.060485
H 3.569912 -0.095708 -3.105042
H 2.131817 0.947783 -2.850223


