%chk=000297823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297823

0 1
S 1.147466 1.462097 0.109546
O 0.710541 -1.380562 1.369891
O 4.733946 -0.572900 -0.127531
O -3.485640 -1.291647 1.106347
O -2.868890 -2.021214 -0.985599
N 1.800966 -1.763613 -0.600030
N -1.590649 -0.463945 0.203160
N 3.536210 -0.606935 1.804187
C 3.821642 -3.256257 -0.837378
C 3.003058 -2.302295 0.074732
C -0.400402 -0.613021 -0.662246
C 4.175818 -2.638093 -2.190769
C 3.071464 -4.579284 -1.012683
C 0.743789 -1.264009 0.154690
C 3.843618 -1.084851 0.537169
C 0.050515 0.761125 -1.162267
C 2.622836 1.993682 -0.825126
C -2.658535 -1.347649 0.005105
C 3.382024 2.859209 0.128973
C -4.780499 -1.968789 0.985324
C 4.650696 2.461370 0.578791
C 2.837904 4.076987 0.569278
C -5.765821 -1.066430 0.300646
C 5.364526 3.272643 1.463628
C 3.556369 4.881478 1.457252
C 4.819335 4.481968 1.906476
C -6.654056 -0.287312 1.055046
C -5.798427 -1.005438 -1.100791
C -7.578793 0.538502 0.408813
C -6.722882 -0.177566 -1.741543
C -7.615478 0.592699 -0.988072
H 4.782338 -3.459324 -0.291709
H 2.668249 -2.885307 0.982496
H 1.868623 -1.632396 -1.604860
H -0.675077 -1.269563 -1.541476
H 3.307303 -2.508371 -2.841147
H 4.889838 -3.269482 -2.732960
H 4.659826 -1.655491 -2.055120
H 2.091944 -4.437092 -1.483892
H 3.638075 -5.271525 -1.646906
H 2.900567 -5.083433 -0.054756
H -0.820635 1.437860 -1.301827
H 0.547885 0.690393 -2.143809
H -1.416986 -0.105502 1.151778
H 3.944047 0.270273 2.106056
H 2.645823 -0.839323 2.244954
H 3.215293 1.111287 -1.148654
H 2.336880 2.551273 -1.736316
H -4.636208 -2.928503 0.452455
H -5.010374 -2.153231 2.052361
H 5.086604 1.516687 0.229442
H 1.854463 4.395007 0.225140
H 6.350605 2.961440 1.805891
H 3.130310 5.823092 1.799919
H 5.376744 5.111637 2.596835
H -6.623054 -0.318688 2.142999
H -5.088846 -1.599236 -1.685281
H -8.269217 1.142024 0.995422
H -6.747109 -0.131742 -2.829076
H -8.336762 1.235882 -1.489179


%chk=000297823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297823

0 1
S 0.343979 1.019758 -0.137439
O 0.820276 -2.287416 1.464295
O 5.003609 -0.625274 0.522474
O -3.657311 -1.923151 0.689798
O -2.986335 -1.777582 -1.574831
N 2.145421 -2.219225 -0.439124
N -1.446557 -1.767998 0.186960
N 3.239400 -0.821320 2.029015
C 4.434089 -3.219675 -0.673603
C 3.410122 -2.532533 0.269877
C -0.270059 -1.734313 -0.677202
C 4.677318 -2.443436 -1.992367
C 4.018157 -4.683382 -0.952878
C 0.942630 -2.105092 0.205677
C 3.971430 -1.236919 0.944007
C -0.088381 -0.356903 -1.374068
C 1.948530 1.679594 -0.969235
C -2.711368 -1.813255 -0.340512
C 2.546633 2.789417 -0.135033
C -5.094919 -1.898003 0.249293
C 3.792283 2.602352 0.519671
C 1.879160 4.036228 -0.005547
C -5.639086 -0.487161 0.182882
C 4.360328 3.648116 1.283974
C 2.444751 5.076334 0.763407
C 3.688859 4.885650 1.410872
C -6.258237 0.098515 1.316214
C -5.537540 0.265692 -1.015879
C -6.764367 1.416136 1.257360
C -6.043611 1.582892 -1.076128
C -6.658185 2.161076 0.059607
H 5.391181 -3.219462 -0.117649
H 3.140860 -3.230888 1.085952
H 2.205841 -2.019619 -1.439671
H -0.390858 -2.491889 -1.481358
H 3.802693 -2.484276 -2.674788
H 5.515856 -2.903730 -2.544712
H 4.940123 -1.393108 -1.786003
H 3.038492 -4.732287 -1.465500
H 4.761273 -5.179305 -1.603325
H 3.939868 -5.269934 -0.018783
H -1.029703 -0.098872 -1.883849
H 0.717208 -0.395221 -2.129964
H -1.282648 -1.858050 1.195550
H 3.482691 0.065052 2.474341
H 2.353510 -1.290033 2.264813
H 2.648990 0.833591 -1.065546
H 1.651220 2.034667 -1.971035
H -5.156401 -2.404778 -0.729164
H -5.596152 -2.495399 1.027000
H 4.328667 1.649684 0.418741
H 0.912771 4.183784 -0.502488
H 5.328630 3.495145 1.773995
H 1.919484 6.033643 0.856554
H 4.129986 5.694395 2.004451
H -6.339225 -0.478080 2.246047
H -5.047815 -0.185207 -1.886238
H -7.241044 1.859682 2.138707
H -5.960777 2.157209 -2.005687
H -7.051938 3.182760 0.011877


