%chk=000135153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000135153

0 1
S 1.589566 0.867907 2.271063
P 1.871254 0.414419 0.459813
O 1.365968 -1.213083 -0.046791
O 1.663484 1.570179 -0.680223
O 3.426911 0.005951 0.044061
N -2.638807 -0.558913 -0.199898
N -0.369102 0.135860 0.088918
C -2.200643 1.841876 0.258314
C -1.705039 0.419966 0.044739
C -1.481622 2.791946 -0.701307
C -1.987104 2.230032 1.722115
C -2.230272 -1.847724 -0.397474
C 0.022076 -1.174643 -0.119039
C -0.863808 -2.214693 -0.371290
C -3.287693 -2.864745 -0.647020
C 2.185409 1.266571 -2.001768
C 4.135103 -0.861631 0.959176
H -3.302520 1.862791 0.034821
H -0.388086 2.764273 -0.557383
H -1.800661 3.827417 -0.539565
H -1.679707 2.538558 -1.747508
H -2.500072 1.542930 2.404486
H -2.361156 3.239965 1.920700
H -0.918746 2.220261 1.993626
H -0.529790 -3.233664 -0.526455
H -3.300892 -3.627715 0.146941
H -4.296421 -2.416042 -0.679923
H -3.130486 -3.385285 -1.603333
H 1.979522 2.201976 -2.542890
H 1.637802 0.433829 -2.456673
H 3.267490 1.075853 -1.971269
H 4.231715 -0.403554 1.952955
H 5.123804 -0.942828 0.484890
H 3.655427 -1.847141 1.007791


%chk=000135153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135153

0 1
S 2.093775 1.043993 2.422759
P 2.341185 0.451461 0.482521
O 1.346424 -0.928193 -0.140638
O 2.313863 1.678783 -0.706148
O 3.837974 -0.304010 0.059332
N -2.786885 -0.565372 -0.177892
N -0.580999 0.399671 0.054857
C -2.551408 1.858400 0.308079
C -1.951078 0.490470 0.039988
C -2.002235 2.907841 -0.692257
C -2.254094 2.280215 1.773385
C -2.216049 -1.803693 -0.387501
C -0.041339 -0.819542 -0.143136
C -0.813880 -1.981714 -0.371731
C -3.168515 -2.949698 -0.625555
C 2.465946 1.323371 -2.142295
C 4.402956 -1.321451 0.971694
H -3.642932 1.750717 0.174235
H -0.903538 2.978014 -0.605753
H -2.437194 3.900289 -0.475455
H -2.256012 2.642429 -1.735095
H -2.677721 1.556756 2.493407
H -2.699572 3.270740 1.977730
H -1.164306 2.341671 1.941878
H -0.344283 -2.954749 -0.524453
H -3.850446 -3.059107 0.236552
H -3.801742 -2.738175 -1.505650
H -2.635883 -3.901295 -0.785449
H 2.518209 2.297913 -2.649344
H 1.584838 0.756690 -2.490169
H 3.391410 0.746366 -2.303162
H 4.448953 -0.932661 2.005393
H 5.416651 -1.508928 0.588327
H 3.800833 -2.246304 0.936146


