%chk=000298352.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298352

0 1
S 1.998083 -0.250461 -1.963649
O -4.757441 0.956727 -0.750539
O -4.264577 -0.717274 2.276926
O -5.571503 -1.964976 -1.372904
N -2.458154 1.465344 -0.558338
N -0.652235 1.603298 -1.998602
N -1.656735 -0.479909 0.818653
N 0.586341 -1.265449 0.087429
N -0.511691 -2.207433 1.957203
N 5.370777 -0.634986 -1.124614
C -3.818939 1.792142 -0.065477
C -4.915302 0.326596 1.577623
C -4.019006 1.575638 1.436294
C -5.294596 -0.077599 0.123896
C -4.753594 -1.438357 -0.324389
C -1.569153 0.451855 -0.180927
C -1.840646 2.115287 -1.698388
C -0.435241 0.562610 -1.078267
C 0.630977 -0.341539 -0.893166
C -0.542398 -1.296471 0.916964
C 3.141531 -1.543143 -1.412155
C 4.170049 -0.905517 -0.534794
C 3.910737 -0.612298 0.816284
C 6.345785 -0.045907 -0.377232
C 4.919408 -0.008448 1.571713
C 6.149451 0.282078 0.981643
C 7.642771 0.240208 -1.059529
H -4.064432 2.824709 -0.419900
H -5.818359 0.510688 2.201003
H -4.487011 2.460346 1.902786
H -3.065934 1.428369 1.987151
H -6.390789 -0.013871 -0.062840
H -3.704700 -1.372575 -0.663776
H -4.850132 -2.197014 0.480340
H -3.329047 -0.839395 1.942047
H -2.338126 2.929356 -2.208609
H -5.486077 -1.406763 -2.176891
H 2.617475 -2.375186 -0.894263
H 3.596620 -1.981707 -2.331531
H -1.349938 -2.389043 2.488454
H 0.201242 -2.923117 1.960718
H 2.941861 -0.844550 1.255360
H 4.743764 0.234829 2.619858
H 6.944314 0.752948 1.551792
H 7.634692 -0.088313 -2.112536
H 8.478081 -0.274317 -0.565119
H 7.862694 1.317190 -1.060201


%chk=000298352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298352

0 1
S 2.164771 0.171572 -2.162685
O -4.678249 0.382447 -0.720139
O -3.665123 -0.734372 2.112404
O -6.407096 -1.900808 -1.037667
N -2.513449 1.413335 -0.777306
N -0.703785 1.828341 -2.144636
N -1.593020 -0.509927 0.495077
N 0.687681 -1.079770 -0.186612
N -0.419370 -2.271368 1.503970
N 5.592679 -0.519647 -1.045872
C -3.892305 1.542122 -0.273257
C -4.656818 0.237834 1.707346
C -4.046659 1.609906 1.275608
C -5.460974 -0.163309 0.441182
C -5.633608 -1.659646 0.186778
C -1.539170 0.475287 -0.437179
C -1.950231 2.189518 -1.821364
C -0.422333 0.749193 -1.283426
C 0.712662 -0.090410 -1.117539
C -0.445104 -1.258729 0.576812
C 3.311987 -1.234745 -1.553886
C 4.336207 -0.759059 -0.553158
C 4.006718 -0.582682 0.813938
C 6.569050 -0.090252 -0.187130
C 5.014880 -0.141640 1.698300
C 6.309850 0.108847 1.195559
C 7.940547 0.163404 -0.779143
H -4.289329 2.452335 -0.762302
H -5.334710 0.358450 2.569940
H -4.744070 2.428571 1.524757
H -3.092935 1.801746 1.792592
H -6.451949 0.336576 0.437772
H -4.639216 -2.143288 0.145358
H -6.217125 -2.116619 1.002524
H -2.859509 -0.691797 1.462090
H -2.510265 2.995414 -2.291942
H -5.933255 -1.447797 -1.781740
H 2.633035 -1.993210 -1.134021
H 3.807489 -1.592714 -2.467821
H -1.228857 -2.438929 2.098066
H 0.407506 -2.857867 1.570720
H 2.984426 -0.779869 1.150863
H 4.795263 0.004860 2.761543
H 7.113170 0.453333 1.855598
H 7.925227 -0.064062 -1.856037
H 8.710962 -0.464139 -0.293455
H 8.245299 1.218164 -0.644980


