%chk=000237311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237311

0 1
S 4.856081 -1.867556 0.203929
N 2.140550 -1.623698 0.185298
N 3.505618 0.397025 -0.035681
N -3.177004 0.305131 0.001801
N -4.153542 -0.484329 0.016147
C 5.775512 -0.390330 0.042611
C 4.887900 0.716930 -0.073966
C 0.810738 -1.104149 0.132675
C 3.312926 -0.899805 0.104209
C 7.153762 -0.223825 0.020884
C 5.402795 2.013986 -0.214871
C -0.232934 -2.053748 0.241134
C 0.517199 0.262058 -0.016958
C -1.855531 -0.260677 0.048835
C -1.555665 -1.630044 0.198143
C -0.810674 0.679294 -0.057585
C 7.654727 1.073668 -0.120016
C 6.787945 2.174416 -0.235975
C -5.479346 0.087935 -0.020033
C -6.505770 -0.831617 -0.312093
C -5.785102 1.435169 0.245953
C -7.830482 -0.393450 -0.340177
C -7.115842 1.856070 0.217967
C -8.137240 0.946150 -0.075266
H 2.226842 -2.638750 0.294989
H 7.827378 -1.074456 0.110465
H 4.726114 2.862546 -0.304265
H -0.014004 -3.113066 0.357724
H 1.316482 1.006780 -0.102155
H -2.368432 -2.356820 0.280515
H -1.046802 1.740602 -0.173483
H 8.731281 1.235920 -0.140461
H 7.209612 3.174484 -0.344704
H -6.259636 -1.874637 -0.514383
H -4.984797 2.141820 0.471497
H -8.628548 -1.098825 -0.568122
H -7.357853 2.897887 0.424436
H -9.173358 1.280413 -0.096920


%chk=000237311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237311

0 1
S 4.895228 -1.987547 0.063180
N 2.128781 -1.622746 0.055105
N 3.523940 0.358012 -0.008349
N -3.188266 0.360821 -0.007544
N -4.162516 -0.517566 0.016190
C 5.805065 -0.414479 0.011857
C 4.891583 0.692095 -0.021271
C 0.814347 -1.094841 0.039264
C 3.331470 -0.944222 0.032572
C 7.198102 -0.226744 0.002785
C 5.403785 2.009713 -0.064336
C -0.259933 -2.035697 0.067304
C 0.533865 0.297810 -0.002325
C -1.879341 -0.204434 0.011157
C -1.588757 -1.600829 0.053503
C -0.805487 0.724287 -0.015703
C 7.690761 1.099300 -0.040649
C 6.800396 2.203885 -0.073802
C -5.477348 0.052433 -0.003448
C -6.541808 -0.887604 0.021348
C -5.763478 1.447774 -0.044111
C -7.880622 -0.443797 0.005558
C -7.101848 1.881807 -0.059479
C -8.164628 0.941680 -0.034818
H 2.192104 -2.642205 0.085797
H 7.888962 -1.074750 0.028164
H 4.706905 2.852463 -0.089751
H -0.038239 -3.110831 0.099861
H 1.361062 1.008974 -0.023321
H -2.421592 -2.309764 0.074406
H -1.049240 1.791243 -0.047862
H 8.772451 1.269462 -0.048643
H 7.203599 3.221543 -0.107339
H -6.290788 -1.953099 0.052560
H -4.928475 2.154754 -0.062626
H -8.698817 -1.171892 0.024702
H -7.326608 2.954064 -0.090868
H -9.203717 1.289428 -0.046969


