%chk=000286213.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286213

0 1
S 1.636108 -1.300338 -1.414893
O 1.029830 -0.320772 -2.296476
O 2.046916 -2.595030 -1.917239
O 0.578921 5.192507 0.659364
O -1.297770 5.371737 -0.399032
N 0.518270 -1.709334 -0.148656
N -0.406033 4.715646 0.115108
C -0.828998 -1.074905 -0.007490
C -0.714469 0.457473 -0.029434
C -1.389291 -1.351862 1.403493
C -1.725406 -1.682129 -1.096089
C 0.336401 1.072678 0.676925
C -1.694263 1.258121 -0.636575
C -2.735876 -1.040156 1.663361
C -2.514481 -2.807198 -0.809429
C -0.588832 -1.844010 2.440654
C -1.699734 -1.189320 -2.409133
C 2.944215 -0.560256 -0.576956
C 0.444199 2.459294 0.726417
C -1.597830 2.649433 -0.597105
C -3.274686 -1.242728 2.934158
C -3.296974 -3.397798 -1.805377
C -1.133685 -2.049393 3.713926
C -2.482918 -1.779793 -3.404102
C -0.522083 3.244758 0.077432
C 3.798683 -1.326375 0.223322
C 3.175674 0.813958 -0.724580
C -2.474917 -1.752909 3.963582
C -3.289165 -2.881619 -3.104501
C 4.865081 -0.723690 0.890873
C 4.238988 1.422312 -0.061279
C 5.092567 0.656968 0.754767
C 6.234724 1.310996 1.454744
H 0.436793 -2.730225 0.015910
H 1.068343 0.456810 1.207909
H -2.545867 0.803317 -1.148788
H -3.365404 -0.639311 0.867950
H -2.524848 -3.236964 0.193132
H 0.466656 -2.061637 2.275795
H -1.040290 -0.350154 -2.675668
H 1.265155 2.942098 1.266508
H -2.350919 3.278275 -1.084414
H -4.319252 -1.000669 3.125664
H -3.909298 -4.266180 -1.567939
H -0.504009 -2.438478 4.512744
H -2.452405 -1.383977 -4.418795
H 3.640571 -2.404912 0.323058
H 2.517305 1.413563 -1.367179
H -2.896770 -1.912499 4.954258
H -3.899076 -3.341277 -3.880194
H 5.525806 -1.326462 1.511369
H 4.413645 2.491015 -0.180407
H 5.936109 2.252123 1.940561
H 6.683497 0.677955 2.232263
H 7.038293 1.562221 0.743579


%chk=000286213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286213

0 1
S 1.607173 -1.178449 -1.338345
O 1.089740 0.039287 -2.285167
O 1.864821 -2.685841 -1.902072
O -0.092274 5.577723 0.687226
O -2.138301 5.552785 -0.321421
N 0.466044 -1.385451 0.187795
N -1.098768 4.957066 0.163425
C -0.960498 -0.881093 0.083333
C -0.966622 0.664559 0.012517
C -1.598250 -1.197764 1.480204
C -1.700613 -1.608175 -1.072098
C 0.089960 1.400394 0.608604
C -2.086606 1.370389 -0.498272
C -3.009974 -1.200860 1.622482
C -2.202204 -2.920179 -0.858268
C -0.793696 -1.387298 2.630778
C -1.760004 -1.069553 -2.383091
C 3.202279 -0.598437 -0.519904
C 0.058708 2.803917 0.658628
C -2.137787 2.775192 -0.455725
C -3.602418 -1.403965 2.885900
C -2.767062 -3.663406 -1.915314
C -1.389474 -1.601610 3.894573
C -2.331214 -1.811296 -3.439809
C -1.057008 3.478420 0.117465
C 4.085158 -1.572933 -0.031197
C 3.468475 0.779618 -0.477947
C -2.795120 -1.610515 4.029171
C -2.840168 -3.108882 -3.213520
C 5.293979 -1.130181 0.551596
C 4.684169 1.194350 0.106464
C 5.609041 0.251879 0.632512
C 6.920417 0.717388 1.237376
H 0.444290 -2.424998 0.262106
H 0.933852 0.859143 1.044904
H -2.924420 0.821627 -0.936709
H -3.648813 -1.049871 0.745956
H -2.158578 -3.365317 0.142508
H 0.295618 -1.359665 2.532857
H -1.330385 -0.087491 -2.593882
H 0.867578 3.382720 1.112123
H -2.990636 3.331128 -0.853455
H -4.694211 -1.400733 2.977372
H -3.145815 -4.673921 -1.726238
H -0.753111 -1.753324 4.773574
H -2.359586 -1.377574 -4.445329
H 3.850820 -2.637928 -0.127251
H 2.762373 1.494703 -0.912495
H -3.256594 -1.770182 5.009824
H -3.277036 -3.684230 -4.037120
H 6.002470 -1.869541 0.941613
H 4.919822 2.264035 0.147594
H 6.771265 1.583328 1.906740
H 7.409149 -0.083645 1.817163
H 7.627249 1.035552 0.447339


