%chk=000237372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237372

0 1
S 2.044048 1.447757 1.790609
S -2.034663 1.468893 -1.781274
O 1.476276 1.736937 3.086373
O 2.547311 2.503740 0.952478
O -1.466146 1.762317 -3.075758
O -2.531703 2.522830 -0.936877
N 3.300299 0.325376 2.164024
N -3.297182 0.355428 -2.160189
C 0.004522 1.325072 0.004093
C 0.927674 0.454688 0.858740
C -0.923043 0.464585 -0.855781
C 4.222927 -0.222659 1.234761
C -4.222279 -0.192735 -1.233459
C 4.279527 0.241511 -0.088998
C -4.275455 0.264164 0.092955
C 5.053626 -1.279351 1.663971
C -5.059156 -1.242294 -1.668146
C 5.161104 -0.371388 -0.993461
C -5.159970 -0.348891 0.994468
C 5.928114 -1.878354 0.751114
C -5.936397 -1.841612 -0.758144
C 5.974927 -1.433362 -0.580043
C -5.979935 -1.403936 0.575553
C 5.234894 0.134399 -2.397587
C -5.229559 0.149311 2.401516
C 6.823186 -2.993607 1.186627
C -6.838018 -2.949247 -1.199542
H 0.616824 1.996664 -0.644272
H -0.604346 1.995883 0.656493
H 0.323471 -0.196581 1.526482
H 1.469851 -0.267100 0.207373
H -0.322146 -0.185470 -1.527686
H -1.468651 -0.258580 -0.208827
H 3.483399 0.104782 3.153301
H -3.482069 0.141404 -3.150577
H 3.711515 1.113097 -0.415289
H -3.702301 1.130605 0.423909
H 5.018914 -1.625176 2.691256
H -5.027062 -1.582412 -2.697420
H 6.654154 -1.904774 -1.283188
H -6.661352 -1.875564 1.276432
H 5.760195 -0.552799 -3.072793
H 5.771477 1.096148 -2.432746
H 4.238565 0.313398 -2.824922
H -5.747896 1.120824 2.441228
H -4.231384 0.306531 2.833154
H -5.770045 -0.532068 3.070590
H 6.592374 -3.359832 2.195011
H 6.757294 -3.854295 0.506255
H 7.874573 -2.668183 1.194210
H -6.779922 -3.812648 -0.521923
H -7.887081 -2.616421 -1.208707
H -6.607177 -3.313706 -2.208565


%chk=000237372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237372

0 1
S 2.764622 0.492490 0.931082
S -2.679925 0.501539 -0.613578
O 2.436835 1.369467 2.272309
O 3.180400 1.218666 -0.467636
O -2.207747 1.330922 -1.942168
O -3.228845 1.277067 0.710427
N 4.093713 -1.028986 1.329379
N -3.975110 -1.023371 -1.096762
C 0.029976 0.289014 0.203619
C 1.216837 -0.609578 0.569885
C -1.187180 -0.602544 -0.067167
C 5.367930 -0.823477 0.733777
C -5.310426 -0.778559 -0.675338
C 5.499334 -1.019692 -0.666072
C -5.620899 -0.913989 0.703519
C 6.508788 -0.462837 1.510470
C -6.337892 -0.441789 -1.605650
C 6.756453 -0.871716 -1.295197
C -6.946123 -0.731008 1.159569
C 7.778235 -0.347664 0.908365
C -7.672347 -0.292661 -1.176395
C 7.881965 -0.548674 -0.496073
C -7.956640 -0.434415 0.210115
C 6.887558 -1.042064 -2.798457
C -7.271791 -0.835735 2.639070
C 9.008985 -0.007042 1.730491
C -8.784570 0.017462 -2.162892
H 0.268918 0.883843 -0.697731
H -0.186243 0.988459 1.032380
H 1.081397 -1.177827 1.503944
H 1.561209 -1.263780 -0.245961
H -1.054951 -1.295141 -0.913788
H -1.577862 -1.129148 0.817332
H 4.143397 -0.929851 2.366442
H -3.895902 -0.973439 -2.135680
H 4.612822 -1.285944 -1.251224
H -4.818807 -1.161965 1.406480
H 6.393761 -0.282051 2.587472
H -6.083951 -0.307856 -2.665576
H 8.863069 -0.441777 -0.976618
H -8.990004 -0.302639 0.556431
H 6.425862 -0.189010 -3.330908
H 6.377679 -1.958150 -3.147833
H 7.944230 -1.099430 -3.111019
H -6.780469 -1.710915 3.101112
H -8.358238 -0.923565 2.810861
H -6.917508 0.061223 3.181784
H 8.741609 0.282364 2.761058
H 9.698784 -0.870210 1.792436
H 9.572915 0.829549 1.279150
H -9.452824 -0.854527 -2.296967
H -9.410898 0.857156 -1.810567
H -8.384033 0.287110 -3.154900


