%chk=000285918.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285918

0 1
S 3.134058 0.736125 0.424858
S -3.128393 0.734007 -0.425492
O 3.545787 0.999610 1.782729
O 3.710597 1.522413 -0.654394
O -3.540381 0.997103 -1.783346
O -3.705651 1.519761 0.653772
N 1.423095 0.975133 0.371751
N -1.417643 0.974499 -0.372398
C 0.766592 1.993832 -0.038200
C -0.761870 1.993251 0.038577
C 3.275190 -0.942123 0.057173
C -3.268000 -0.944361 -0.057751
C 1.324215 3.280337 -0.531081
C -1.320380 3.278875 0.532765
C 3.766187 -1.338496 -1.192017
C -3.759531 -1.341139 1.191100
C 2.906808 -1.900981 1.006119
C -2.897862 -1.902919 -1.006318
C 0.657501 4.427946 -0.330384
C -0.654450 4.427147 0.333266
C 3.891465 -2.697382 -1.492040
C -3.883595 -2.700128 1.491158
C 3.031223 -3.261429 0.705930
C -3.021059 -3.263469 -0.706093
C 3.522976 -3.657429 -0.542235
C -3.513356 -3.659873 0.541730
H 2.308587 3.230830 -1.019247
H -2.304759 3.228205 1.020810
H 4.057675 -0.584127 -1.932927
H -4.052370 -0.587009 1.931721
H 2.525009 -1.592476 1.984874
H -2.515611 -1.594105 -1.984799
H 1.057985 5.393871 -0.643491
H -1.055603 5.392470 0.647372
H 4.275503 -3.007748 -2.462665
H -4.268045 -3.010808 2.461520
H 2.746021 -4.009301 1.444192
H -2.734484 -4.011109 -1.444059
H 3.620875 -4.718337 -0.776406
H -3.610305 -4.720863 0.775927


%chk=000285918-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285918

0 1
S 3.277990 0.796827 0.439495
S -3.271976 0.794450 -0.439333
O 3.647760 1.016236 2.008066
O 4.029342 1.672836 -0.723321
O -3.642093 1.013950 -2.007810
O -4.023767 1.669710 0.723762
N 1.307076 0.869480 0.336000
N -1.301103 0.868508 -0.336067
C 0.771155 2.041577 0.027415
C -0.766155 2.040925 -0.027046
C 3.469571 -1.023975 0.006905
C -3.462204 -1.026582 -0.007117
C 1.445444 3.330472 -0.182832
C -1.441609 3.329066 0.184017
C 3.815910 -1.351295 -1.313158
C -3.808231 -1.354434 1.312895
C 3.293960 -1.962908 1.035567
C -3.285977 -1.965170 -1.035990
C 0.721809 4.497906 -0.116208
C -0.719042 4.497194 0.118054
C 3.991043 -2.721012 -1.618849
C -3.982360 -2.724342 1.618304
C 3.473010 -3.326437 0.707369
C -3.464025 -3.328897 -0.708073
C 3.816007 -3.701220 -0.613705
C -3.806672 -3.704209 0.612942
H 2.528749 3.328117 -0.341537
H -2.524912 3.325620 0.342738
H 3.961914 -0.566042 -2.061745
H -3.954758 -0.569445 2.061658
H 3.045092 -1.639780 2.051085
H -3.037407 -1.641649 -2.051456
H 1.236060 5.459581 -0.218556
H -1.234160 5.458343 0.220977
H 4.264845 -3.017216 -2.636606
H -4.255892 -3.020960 2.636012
H 3.345614 -4.090161 1.481339
H -3.336124 -4.092363 -1.482214
H 3.954268 -4.759877 -0.858617
H -3.944151 -4.763019 0.857636


