%chk=000216305.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216305

1 1
S 3.872209 1.488961 -0.417586
O -0.070701 0.045761 1.368540
N 1.679055 0.249848 -0.679912
C 2.547947 -0.676080 -0.042776
C 0.266168 -0.037254 -0.988237
C 3.804696 -0.133902 0.159956
C 2.253226 1.451702 -0.929821
C -0.617044 -0.003350 0.292403
C 2.076606 -2.019267 0.345138
C -2.074403 -0.034444 0.083259
C 4.979583 -0.755238 0.778140
C -2.677707 -0.348347 -1.149071
C -2.885139 0.253611 1.198766
C -4.066493 -0.363902 -1.260694
C -4.276500 0.240316 1.079111
C -4.868403 -0.067359 -0.148576
H -0.128155 0.692212 -1.736986
H 0.173470 -1.045802 -1.465095
H 1.741173 2.297667 -1.398274
H 1.284712 -1.960914 1.121747
H 1.679472 -2.606190 -0.498211
H 2.885389 -2.628593 0.789049
H 4.789007 -1.029017 1.835765
H 5.273831 -1.690577 0.263120
H 5.879849 -0.117627 0.787717
H -2.077055 -0.591294 -2.023921
H -2.416641 0.486510 2.161429
H -4.536192 -0.609699 -2.215411
H -4.900321 0.467437 1.947020
H -5.957740 -0.079967 -0.244191


%chk=000216305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216305

1 1
S 3.761177 1.600721 0.169567
O -0.227910 1.487392 0.942543
N 1.672147 0.267933 -0.572117
C 2.592877 -0.750999 -0.171091
C 0.265188 0.013169 -0.938402
C 3.797238 -0.220637 0.258217
C 2.124080 1.531631 -0.431351
C -0.702532 0.648019 0.125680
C 2.210994 -2.202406 -0.248585
C -2.126495 0.256864 0.081939
C 5.035073 -0.900407 0.760289
C -2.650026 -0.640493 -0.894932
C -3.002550 0.823029 1.055397
C -4.020860 -0.962176 -0.895023
C -4.369283 0.493070 1.053618
C -4.881024 -0.399544 0.079196
H 0.049966 0.464027 -1.924369
H 0.109582 -1.070895 -1.022205
H 1.542003 2.415360 -0.673213
H 1.364584 -2.442156 0.420706
H 1.942094 -2.503178 -1.277651
H 3.056085 -2.833581 0.062919
H 5.234758 -0.644481 1.816558
H 4.935782 -1.995660 0.696700
H 5.924560 -0.612328 0.172159
H -2.008823 -1.085884 -1.664135
H -2.588692 1.514161 1.796619
H -4.422618 -1.647218 -1.647928
H -5.037723 0.926866 1.803546
H -5.945754 -0.654995 0.077747


