%chk=000269557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269557

0 1
S -3.652428 -2.259502 -1.854447
O -4.111633 0.616215 -0.942671
O -4.986261 0.050183 1.139649
O -0.646612 0.654662 0.318281
O -0.084085 1.830738 -1.531539
O 6.465485 -0.353592 -0.235693
O 5.779251 -1.244314 1.613876
N 5.600266 -0.628786 0.577199
C -2.678991 -1.255193 -0.660974
C -4.065619 -1.636745 -0.182456
C -2.706320 0.239341 -0.948608
C -4.896901 -0.361104 -0.224995
C -2.038218 1.054020 0.170247
C -5.758672 1.251906 1.351657
C 0.258140 1.135537 -0.605303
C 1.631019 0.661749 -0.270730
C 2.662835 0.954064 -1.176675
C 1.890106 -0.047710 0.910644
C 3.964831 0.532593 -0.902562
C 3.190076 -0.472310 1.191811
C 4.213095 -0.177142 0.280410
H -1.763487 -1.669335 -0.235662
H -4.250577 -2.328462 0.640681
H -2.343628 0.529111 -1.959339
H -5.876347 -0.373269 -0.730686
H -2.457476 0.819444 1.169653
H -2.100018 2.138346 -0.030563
H -5.612765 1.446101 2.420786
H -6.812304 1.063703 1.127263
H -5.358779 2.069417 0.742099
H 2.440768 1.513304 -2.092740
H 1.072854 -0.264944 1.606855
H 4.786100 0.749719 -1.595914
H 3.415994 -1.028448 2.109246


%chk=000269557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269557

0 1
S -3.778029 -2.525748 -1.654938
O -4.126147 0.542588 -1.025152
O -5.159646 0.201498 1.154661
O -0.601066 0.541564 0.356452
O 0.012021 1.954251 -1.399566
O 6.679967 -0.093955 -0.320261
O 5.984350 -1.410813 1.407631
N 5.763137 -0.578074 0.447268
C -2.809545 -1.375559 -0.456409
C -4.227211 -1.631590 -0.026468
C -2.715588 0.086233 -0.883822
C -4.986682 -0.320234 -0.190644
C -2.022406 0.959913 0.187041
C -5.975054 1.428839 1.194200
C 0.327528 1.129593 -0.509416
C 1.720536 0.661034 -0.232221
C 2.762803 1.165599 -1.053158
C 2.012727 -0.253420 0.813210
C 4.092896 0.763403 -0.836601
C 3.339544 -0.663852 1.040512
C 4.357933 -0.147325 0.209823
H -1.958042 -1.839959 0.046371
H -4.483264 -2.271045 0.820122
H -2.241758 0.234775 -1.867355
H -5.953423 -0.376670 -0.725095
H -2.480775 0.815019 1.177055
H -2.061596 2.017826 -0.121548
H -6.041624 1.709938 2.255848
H -6.990882 1.237570 0.793551
H -5.496131 2.238298 0.613520
H 2.508842 1.870208 -1.850941
H 1.199695 -0.629139 1.438958
H 4.917238 1.134077 -1.450792
H 3.599349 -1.365545 1.836965


