%chk=000257573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257573

0 1
S -2.353551 1.015837 -1.128126
S 6.186744 0.347353 -0.280045
O -1.295271 0.940364 0.299019
O 0.801151 2.598121 -0.103096
O -0.911868 -1.698330 0.436790
O -2.512921 2.412018 -1.406976
O -1.796386 0.123763 -2.103840
N 3.600336 1.249516 -0.208438
N -0.053642 0.434289 -0.009963
N 1.361494 -1.522040 0.217059
N 3.801878 -1.029300 0.004350
C 2.298805 0.727985 -0.075388
C 2.461868 -0.681464 0.050712
C 1.027631 1.416374 -0.050260
C 4.463037 0.171225 -0.155418
C 0.045354 -0.978015 0.249121
C 3.927479 2.665778 -0.373039
C -3.759016 0.384497 -0.376747
C -4.842713 1.234093 -0.112282
C -3.823709 -0.968912 -0.026960
C -5.994351 0.726399 0.490192
C -4.978917 -1.476442 0.577226
C -6.061323 -0.630430 0.834189
C 6.773161 -1.351496 -0.194772
H 1.487374 -2.534364 0.306896
H 4.582183 3.021083 0.445169
H 4.437279 2.845674 -1.339074
H 3.000649 3.284707 -0.359669
H -4.786423 2.296659 -0.378530
H -2.968098 -1.635548 -0.214588
H -6.838124 1.383837 0.695071
H -5.028052 -2.530168 0.850303
H -6.961912 -1.026086 1.306550
H 7.869252 -1.337500 -0.257355
H 6.376879 -1.963804 -1.018439
H 6.475922 -1.841675 0.744358


%chk=000257573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257573

0 1
S -2.185761 1.215739 -0.737928
S 6.152667 0.264952 -0.823518
O -1.121636 1.164683 1.169974
O 0.942137 2.794026 0.424032
O -0.826958 -1.558684 1.239652
O -2.541076 2.673314 -1.368356
O -1.177665 0.204550 -1.537673
N 3.645888 1.292576 -0.182495
N 0.085811 0.615317 0.898275
N 1.416649 -1.363226 0.640581
N 3.758813 -0.995303 -0.043263
C 2.371910 0.836753 0.218836
C 2.490659 -0.561705 0.285829
C 1.162985 1.558878 0.487477
C 4.433139 0.160202 -0.322119
C 0.155477 -0.840496 0.934913
C 4.049250 2.690322 -0.416581
C -3.817452 0.370215 -0.291465
C -4.995234 1.058835 -0.629545
C -3.773373 -0.879359 0.345445
C -6.221393 0.423996 -0.326109
C -5.015939 -1.490247 0.637391
C -6.229612 -0.844398 0.301547
C 6.551276 -1.577528 -0.846635
H 1.509600 -2.380933 0.655692
H 4.857304 2.977278 0.278731
H 4.401249 2.814603 -1.455374
H 3.173600 3.335038 -0.248071
H -4.950836 2.040576 -1.111087
H -2.819586 -1.341460 0.627108
H -7.162757 0.922144 -0.579799
H -5.028033 -2.464524 1.136479
H -7.184686 -1.326612 0.536481
H 7.606749 -1.639457 -1.151315
H 5.897585 -2.081240 -1.570985
H 6.401448 -1.994825 0.157874


