%chk=000188887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188887

0 1
S -2.999870 -0.101749 -1.002471
O -1.830206 0.410264 1.315489
N -0.883829 1.466224 -0.499909
C 1.621456 1.303731 -0.089702
C 0.275258 1.972175 0.282163
C 2.720345 1.833423 0.860997
C 1.567962 -0.208186 -0.037881
C 4.122074 1.490091 0.366530
C 2.153921 -0.948754 -1.077242
C 0.969338 -0.885198 1.034761
C -0.820101 1.581349 -1.973297
C -1.781820 0.619271 0.121068
C 2.143209 -2.345676 -1.040051
C 0.959522 -2.281937 1.067241
C 1.547742 -3.016163 0.032504
C -4.090129 -0.989433 0.167907
C -5.490887 -0.440490 0.033521
H 1.882149 1.617986 -1.132688
H 0.056123 1.825042 1.368868
H 0.344530 3.070990 0.117656
H 2.625560 2.931601 0.968654
H 2.569568 1.412559 1.875668
H 4.255288 0.404448 0.264560
H 4.333778 1.939167 -0.609665
H 4.886143 1.847042 1.066617
H 2.622309 -0.437686 -1.915203
H 0.485991 -0.325485 1.838075
H -1.803702 1.883548 -2.380753
H -0.514201 0.631629 -2.449311
H -0.096924 2.359035 -2.268362
H 2.599121 -2.912453 -1.849564
H 0.486747 -2.798253 1.901478
H 1.538652 -4.103093 0.060426
H -4.036594 -2.066557 -0.078404
H -3.696652 -0.869652 1.203475
H -5.542224 0.626791 0.293371
H -5.888214 -0.544475 -0.984880
H -6.184035 -0.966330 0.705556


%chk=000188887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188887

0 1
S -3.179323 -0.322015 -1.260028
O -2.054890 0.327005 1.176430
N -0.932007 1.179675 -0.691866
C 1.559507 1.240097 -0.120904
C 0.126661 1.784609 0.147872
C 2.523447 1.895590 0.918858
C 1.650725 -0.286186 -0.096835
C 4.018246 1.687929 0.601115
C 2.403067 -0.968701 -1.087060
C 1.032520 -1.052158 0.926659
C -0.801724 1.322141 -2.150238
C -1.938759 0.464849 -0.074061
C 2.546662 -2.374820 -1.056890
C 1.172407 -2.456919 0.959777
C 1.931792 -3.125080 -0.029120
C -4.391527 -0.953809 0.052727
C -5.416084 0.108565 0.470052
H 1.882403 1.584686 -1.125839
H -0.161679 1.615031 1.198576
H 0.132909 2.880646 -0.025171
H 2.306317 2.983053 0.966954
H 2.294535 1.482445 1.921465
H 4.273068 0.614023 0.565235
H 4.283180 2.131927 -0.377458
H 4.654295 2.163667 1.369664
H 2.884436 -0.391851 -1.887676
H 0.418064 -0.558963 1.688519
H -1.792363 1.281232 -2.632528
H -0.162607 0.530204 -2.584985
H -0.351665 2.305659 -2.375870
H 3.133351 -2.881242 -1.831979
H 0.680401 -3.031182 1.753012
H 2.036680 -4.215577 -0.002229
H -4.859269 -1.838877 -0.410282
H -3.766038 -1.264889 0.905417
H -4.907060 0.970862 0.933041
H -6.004627 0.467740 -0.392304
H -6.117652 -0.314569 1.215155


