%chk=000220688.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220688

0 1
S 1.010355 1.548113 1.570075
O -1.880266 0.731755 -2.933817
O 0.496727 2.728912 0.929163
O 1.403501 1.563241 2.964551
N -2.704504 -0.903772 -1.610529
N -0.247860 0.334906 1.597302
C -2.185465 -2.030426 1.862362
C -3.249809 -3.064166 1.399547
C -1.955177 -1.147219 0.669832
C -3.605769 -2.736020 -0.072745
C -2.742455 -1.546320 -0.395564
C -1.080997 -0.017769 0.529268
C -1.067083 0.666171 -0.674760
C -1.836901 0.263635 -1.811126
C 2.243207 0.837578 0.616724
C 2.242149 0.984332 -0.777088
C 3.274201 0.118548 1.236717
C 4.284725 -0.317723 -0.924904
C 3.253309 0.410000 -1.544955
C 4.288715 -0.457498 0.474955
C 5.364897 -0.925932 -1.753001
H -1.254491 -2.535463 2.176413
H -2.550657 -1.450414 2.729247
H -4.147126 -3.011207 2.037759
H -2.859381 -4.091194 1.486253
H -3.395091 -3.590120 -0.741881
H -4.680605 -2.503075 -0.187746
H -3.286412 -1.207244 -2.391799
H -0.524847 1.606458 -0.809703
H -0.440576 -0.130601 2.496084
H 1.443903 1.554422 -1.272177
H 3.289314 0.014996 2.328495
H 3.242031 0.526334 -2.628294
H 5.086274 -1.012686 0.965280
H 5.970225 -0.149424 -2.247196
H 4.953282 -1.562944 -2.550957
H 6.057458 -1.548784 -1.170984


%chk=000220688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220688

0 1
S 0.986298 1.374419 1.539651
O -1.754437 0.120578 -3.177536
O 0.391850 2.711781 0.839243
O 1.381042 1.327350 3.117496
N -2.868682 -1.170925 -1.573064
N -0.215467 -0.023147 1.479228
C -2.562363 -1.898480 2.045904
C -3.591324 -2.995213 1.605654
C -2.150512 -1.270234 0.724431
C -4.118134 -2.559227 0.199906
C -3.013330 -1.645443 -0.291292
C -1.083159 -0.343238 0.423696
C -0.941660 0.139648 -0.882396
C -1.825058 -0.257089 -1.963558
C 2.433092 0.770928 0.497731
C 2.619669 1.345272 -0.769484
C 3.294897 -0.184391 1.056395
C 4.626097 -0.069029 -1.019092
C 3.728353 0.909807 -1.524821
C 4.396318 -0.602467 0.276678
C 5.813683 -0.520093 -1.848448
H -1.717341 -2.347325 2.603321
H -3.036361 -1.152759 2.717595
H -4.408183 -3.119120 2.336269
H -3.071191 -3.965152 1.513561
H -4.298082 -3.421440 -0.468766
H -5.071858 -1.999261 0.277991
H -3.503077 -1.453068 -2.326103
H -0.174793 0.865205 -1.155527
H -0.481482 -0.245252 2.446665
H 1.936376 2.116192 -1.140385
H 3.124061 -0.575999 2.063971
H 3.896662 1.336447 -2.520084
H 5.086584 -1.349649 0.683513
H 6.515711 0.316508 -2.024008
H 5.491209 -0.885821 -2.840505
H 6.373393 -1.330916 -1.353027


