%chk=000198297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198297

0 1
S 2.729513 -0.489709 -1.835960
P 3.000205 -0.229219 0.026773
O -2.770584 1.334034 -0.012539
O 2.564393 1.351519 0.593952
O 4.556156 -0.066281 0.521789
O 2.561718 -1.282805 1.185331
N -0.678423 0.210800 -0.011292
N 0.618800 0.288459 0.145711
C -3.440948 0.065078 -0.415923
C -4.759869 0.604315 -0.977533
C -3.619337 -0.795370 0.834828
C -5.728785 -0.553573 -1.245378
C -4.601165 -1.939310 0.553013
C -5.936700 -1.411946 0.010168
C -1.429194 1.346856 0.153351
C -0.861333 2.612505 0.508125
C 0.506066 2.683747 0.678465
C 1.216181 1.474651 0.479001
C 5.399023 0.850701 -0.251999
C 1.828038 -2.483362 0.772612
C 6.730462 0.769231 0.470652
C 2.791784 -3.530923 0.253430
H -2.818419 -0.429697 -1.189394
H -4.573065 1.181988 -1.902301
H -5.203359 1.324232 -0.259967
H -3.984821 -0.168379 1.671515
H -2.640744 -1.199242 1.162284
H -6.699135 -0.151881 -1.594225
H -5.344336 -1.182487 -2.072191
H -4.153159 -2.647919 -0.171081
H -4.772024 -2.519168 1.479772
H -6.448578 -0.816014 0.790441
H -6.610562 -2.258360 -0.219811
H -1.516145 3.475164 0.630777
H 1.030146 3.599211 0.948244
H 5.469596 0.492819 -1.297969
H 4.962724 1.866623 -0.209653
H 1.381361 -2.766614 1.748722
H 1.019389 -2.236810 0.056119
H 7.119306 -0.258748 0.467269
H 6.623964 1.056159 1.526581
H 7.479087 1.421902 0.009433
H 3.734487 -3.523306 0.820081
H 3.048275 -3.385063 -0.806194
H 2.366110 -4.537810 0.342272


%chk=000198297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198297

0 1
S 3.164243 -0.741279 -2.070255
P 3.347224 -0.359482 -0.052591
O -2.900103 1.427099 0.086203
O 2.541133 1.159289 0.516313
O 4.893267 0.067179 0.554731
O 3.020033 -1.554565 1.123146
N -0.898856 0.154168 0.064731
N 0.471786 0.117522 0.169797
C -3.652620 0.174719 -0.284202
C -4.937990 0.657014 -0.968045
C -3.937161 -0.667192 0.971906
C -5.835036 -0.552723 -1.332683
C -4.836208 -1.876654 0.606571
C -6.141754 -1.420711 -0.088381
C -1.530933 1.354272 0.216470
C -0.842178 2.574610 0.498382
C 0.547062 2.527873 0.600105
C 1.163265 1.257087 0.418280
C 5.676260 1.107322 -0.180064
C 2.040883 -2.653375 0.816790
C 7.061391 1.111859 0.458086
C 2.764794 -3.867809 0.237615
H -3.016101 -0.401649 -0.982958
H -4.684685 1.244608 -1.869732
H -5.479953 1.330710 -0.275502
H -4.453527 -0.030016 1.717084
H -2.985377 -1.009874 1.415179
H -6.773720 -0.191753 -1.793838
H -5.323255 -1.175106 -2.095419
H -4.279093 -2.556635 -0.070218
H -5.065319 -2.455775 1.521106
H -6.749395 -0.829385 0.627341
H -6.748347 -2.300606 -0.376565
H -1.409038 3.501001 0.615876
H 1.154010 3.411996 0.806064
H 5.712953 0.837624 -1.253315
H 5.163442 2.080152 -0.063476
H 1.602509 -2.862384 1.806792
H 1.254348 -2.255190 0.151919
H 7.544820 0.126808 0.347244
H 6.994298 1.350660 1.532748
H 7.695198 1.873649 -0.032632
H 3.576738 -4.198234 0.908007
H 3.190067 -3.638484 -0.754288
H 2.047026 -4.702343 0.122981


