%chk=000190760.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190760

0 1
S 2.897982 -1.206557 1.112641
O -1.810682 -0.627469 -1.340875
N 0.330383 0.332631 0.257668
N -2.970508 -1.513437 0.393149
N 0.688283 2.438433 -0.805368
C 1.122356 -0.287925 -0.854160
C -0.703970 -0.567660 0.819975
C -0.023486 1.703597 0.117760
C 1.933737 -1.412714 -0.332823
C -1.850904 -0.882745 -0.145861
C -0.969645 2.318007 0.980995
C 2.104952 -2.667459 -0.835604
C -4.112031 -1.853189 -0.486033
C -3.087469 -1.894104 1.814396
C 3.020716 -3.473239 -0.058807
C -1.160604 3.694065 0.892662
C 3.529197 -2.827332 1.024798
C 0.480352 3.775549 -0.861039
C -0.432681 4.447260 -0.034524
H 1.800696 0.488200 -1.303952
H 0.447122 -0.616684 -1.687657
H -1.086144 -0.122185 1.768836
H -0.204792 -1.526957 1.110073
H -1.530498 1.731699 1.700856
H 1.624406 -3.051659 -1.724621
H -5.032937 -1.356043 -0.142508
H -4.274411 -2.942124 -0.518900
H -3.906046 -1.508988 -1.521618
H -3.080075 -1.003980 2.467533
H -2.265536 -2.566431 2.117088
H -4.032695 -2.430702 2.004195
H 3.255888 -4.489624 -0.343781
H -1.881125 4.184790 1.547808
H 4.222470 -3.194016 1.760113
H 1.074912 4.313224 -1.610330
H -0.571315 5.519270 -0.117782


%chk=000190760-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190760

0 1
S 3.030245 -0.974442 1.015381
O -2.187028 -0.425696 -1.355709
N 0.125381 0.329023 0.003233
N -3.086842 -1.601500 0.443999
N 0.949992 2.442049 -0.637307
C 1.040269 -0.307389 -0.974162
C -0.818538 -0.540066 0.688740
C -0.016316 1.720769 0.020847
C 1.920970 -1.366453 -0.366704
C -2.089404 -0.842072 -0.160756
C -1.088827 2.374868 0.708284
C 2.069499 -2.693585 -0.745191
C -4.314635 -1.905737 -0.312612
C -3.032104 -2.134990 1.813738
C 3.048642 -3.425174 0.026278
C -1.117488 3.780148 0.736527
C 3.650479 -2.660128 1.011271
C 0.892063 3.798958 -0.603282
C -0.108207 4.525274 0.077874
H 1.632481 0.518552 -1.406404
H 0.445353 -0.769450 -1.787575
H -1.095114 -0.102056 1.664948
H -0.298328 -1.493583 0.906238
H -1.897538 1.807313 1.175284
H 1.492320 -3.134084 -1.563324
H -5.204703 -1.520576 0.221144
H -4.428939 -2.998466 -0.448977
H -4.240511 -1.421596 -1.298015
H -3.777125 -1.636715 2.466120
H -2.036852 -2.004346 2.261023
H -3.257824 -3.218780 1.805310
H 3.289364 -4.477613 -0.143053
H -1.935018 4.292933 1.255748
H 4.407266 -2.947843 1.739175
H 1.688589 4.317294 -1.150762
H -0.105676 5.618660 0.076972


