%chk=000256785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256785

0 1
S 4.850985 1.871183 1.088102
S -7.586631 0.441057 -0.133873
O 5.248118 1.625132 2.447117
O 5.370107 3.026714 0.380975
O 4.261350 -1.072589 1.050698
O -9.611083 -2.725799 -1.121601
O -10.169911 -0.623719 -0.565177
N 5.490244 0.571485 0.094957
N -1.060335 1.828945 0.533684
N -1.704151 0.782399 0.252051
N -5.375934 1.767286 0.341585
N -5.097463 -0.563868 -0.297233
N -3.580488 3.161146 0.813437
N -2.998184 -1.562227 -0.481644
C 3.150557 1.792677 0.904105
C 2.512526 2.675523 0.018638
C 2.395487 0.877223 1.647470
C 0.376704 1.722258 0.621150
C 1.129881 2.647398 -0.131242
C 1.006908 0.835096 1.509179
C 5.131648 -0.777446 0.250019
C 5.861680 -1.761913 -0.605967
C 6.477584 -2.858144 0.012990
C 5.908191 -1.613136 -1.998417
C 7.155937 -3.799823 -0.766126
C 6.582680 -2.561811 -2.771437
C -3.097130 0.814013 0.184802
C 7.209009 -3.651560 -2.155868
C -3.994268 1.916100 0.448138
C -3.721389 -0.437648 -0.197094
C -5.833910 0.548798 -0.020743
C -7.825451 -1.287289 -0.625386
C -9.299007 -1.438489 -0.745978
H 3.107181 3.397663 -0.556051
H 2.895513 0.175213 2.332398
H 6.241330 0.804627 -0.571834
H 0.629556 3.330692 -0.816407
H 0.419444 0.119471 2.083485
H 6.420868 -2.974510 1.097408
H 5.413461 -0.769649 -2.479651
H 7.640056 -4.651198 -0.288574
H 6.620111 -2.452688 -3.854603
H 7.737363 -4.387826 -2.761613
H -4.261083 3.889844 0.990832
H -2.598533 3.390166 0.927091
H -1.989109 -1.563165 -0.428139
H -3.463114 -2.420571 -0.739120
H -7.386241 -1.996781 0.113716
H -7.295864 -1.529138 -1.576024
H -10.592300 -2.870319 -1.213526


%chk=000256785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256785

0 1
S 4.722996 1.479247 1.668271
S -7.696608 0.637095 -0.924546
O 4.894711 0.828227 3.135575
O 5.348466 2.940227 1.321606
O 4.419015 -1.510841 0.851184
O -10.020789 -2.521358 0.091036
O -10.488166 -0.505997 -0.973063
N 5.596280 0.439808 0.387071
N -1.131415 1.637127 0.050894
N -1.912760 0.611836 0.382813
N -5.271633 1.730404 -0.920655
N -5.416084 -0.485066 0.111482
N -3.225690 2.879404 -1.022544
N -3.523655 -1.520470 1.021590
C 2.918859 1.447872 1.146357
C 2.460437 2.534678 0.382547
C 2.101802 0.392844 1.591807
C 0.229361 1.504390 0.455011
C 1.095684 2.553403 0.037432
C 0.742017 0.428365 1.238193
C 5.343266 -0.920450 0.215753
C 6.226534 -1.625107 -0.779764
C 6.307818 -3.038348 -0.686209
C 6.950365 -0.947049 -1.795410
C 7.120456 -3.762350 -1.582221
C 7.758170 -1.675550 -2.694835
C -3.246392 0.688444 0.035124
C 7.850908 -3.082646 -2.585892
C -3.928841 1.779092 -0.646617
C -4.077494 -0.446858 0.390227
C -5.926226 0.609461 -0.524699
C -8.181732 -1.043169 -0.224575
C -9.664064 -1.269701 -0.432010
H 3.143883 3.338237 0.091460
H 2.527505 -0.426016 2.177542
H 6.440943 0.913099 0.045865
H 0.681368 3.375375 -0.554516
H 0.064530 -0.366548 1.558173
H 5.726005 -3.542520 0.092136
H 6.860001 0.138695 -1.918814
H 7.184874 -4.852617 -1.500489
H 8.307678 -1.149129 -3.482501
H 8.481314 -3.645474 -3.282971
H -3.718441 3.638534 -1.493781
H -2.210334 2.866027 -0.791629
H -2.525790 -1.500429 1.230194
H -4.112096 -2.312625 1.270151
H -7.931291 -1.080481 0.847098
H -7.596565 -1.831651 -0.723090
H -10.996283 -2.668635 -0.045066


