%chk=000265219.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265219

0 1
S -2.649544 1.514717 -0.514001
S 2.652035 1.500439 0.529284
O -2.100732 1.442266 -1.857433
O -3.107161 2.792216 -0.005952
O 2.102926 1.419741 1.872126
O 3.114619 2.780039 0.031117
N -1.442088 0.971826 0.598373
N 1.442488 0.970870 -0.587228
C -0.661164 -0.187535 0.265472
C 0.657100 -0.188025 -0.263337
C -3.899235 0.337907 -0.360312
C 3.897147 0.320006 0.366488
C -1.294570 -1.423331 0.522428
C 1.285730 -1.424224 -0.529905
C -0.808909 2.008711 1.449357
C 0.813326 2.016761 -1.430130
C -0.654538 -2.630040 0.255570
C 0.641038 -2.630490 -0.272423
C -4.780481 0.388374 0.726035
C 4.778548 0.375394 -0.719497
C -4.049829 -0.654822 -1.335150
C 4.043926 -0.680751 1.333669
C -5.949088 -1.559948 -0.127277
C 5.939620 -1.583938 0.118760
C -5.799055 -0.556033 0.846768
C 5.793448 -0.572001 -0.847540
C -5.067171 -1.602345 -1.220903
C 5.057585 -1.631305 1.212088
C -7.048069 -2.560477 0.000219
C 7.034720 -2.587705 -0.016451
H -2.296955 -1.427389 0.955764
H 2.288093 -1.428788 -0.963285
H -0.051683 1.560375 2.126832
H -1.587916 2.478698 2.076147
H -0.308678 2.806050 0.870325
H 0.316151 2.811493 -0.844914
H 0.054401 1.576614 -2.111063
H 1.594150 2.488606 -2.053254
H -1.160294 -3.571264 0.463236
H 1.143156 -3.572017 -0.487410
H -4.676819 1.175035 1.481553
H 4.677910 1.168226 -1.468948
H -3.368829 -0.685423 -2.195129
H 3.362841 -0.715313 2.193431
H -6.482557 -0.511941 1.692605
H 6.477088 -0.524066 -1.693057
H -5.179080 -2.370426 -1.983731
H 5.166543 -2.405645 1.968993
H -6.926483 -3.419744 -0.673159
H -7.123674 -2.961125 1.021600
H -8.022058 -2.103351 -0.236906
H 7.109377 -2.980157 -1.041075
H 8.010354 -2.136399 0.225027
H 6.909344 -3.452047 0.649700


%chk=000265219-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265219

0 1
S -2.478678 0.684253 -0.982732
S 2.475885 0.666161 0.993961
O -2.083398 -0.134384 -2.342454
O -2.331229 2.311014 -0.883549
O 2.074751 -0.167953 2.342705
O 2.335734 2.294547 0.915169
N -1.492367 -0.119351 0.548196
N 1.488812 -0.111146 -0.550422
C -0.700984 -1.248561 0.171905
C 0.697089 -1.245953 -0.191975
C -4.265467 0.256180 -0.582107
C 4.261333 0.233792 0.591861
C -1.376773 -2.498487 0.257716
C 1.372769 -2.494498 -0.296730
C -0.950489 0.950361 1.420976
C 0.945738 0.973441 -1.404179
C -0.699127 -3.720593 0.097089
C 0.694998 -3.718779 -0.154278
C -5.009691 1.159140 0.194151
C 5.011012 1.140099 -0.175202
C -4.792721 -0.937839 -1.097482
C 4.782189 -0.967189 1.097396
C -6.935032 -0.371706 -0.010147
C 6.928791 -0.401627 0.018234
C -6.352639 0.829590 0.477148
C 6.352799 0.806729 -0.459179
C -6.140046 -1.242785 -0.800629
C 6.128516 -1.275870 0.799786
C -8.388327 -0.696122 0.283827
C 8.380899 -0.730436 -0.276730
H -2.439105 -2.474664 0.522943
H 2.435105 -2.466897 -0.561601
H -0.363935 0.450174 2.212947
H -1.795272 1.487020 1.884758
H -0.298259 1.700815 0.935581
H 0.297474 1.717691 -0.904373
H 0.354802 0.486908 -2.201437
H 1.789757 1.515354 -1.863131
H -1.244292 -4.665665 0.192406
H 1.240074 -4.662381 -0.263639
H -4.560593 2.095108 0.541526
H 4.567045 2.081265 -0.515035
H -4.178579 -1.586532 -1.730496
H 4.163907 -1.618437 1.723710
H -6.957218 1.516851 1.080377
H 6.961494 1.496469 -1.055404
H -6.579143 -2.166835 -1.193672
H 6.562600 -2.205464 1.185248
H -8.619295 -1.754425 0.075215
H -8.642899 -0.491567 1.339150
H -9.063607 -0.078987 -0.339398
H 8.636724 -0.521703 -1.330949
H 9.058433 -0.119121 0.349757
H 8.607437 -1.790698 -0.073315


