%chk=000245904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245904

0 1
S 5.002026 0.294967 -0.056581
O -1.737904 1.185506 0.012273
O 5.723238 -0.878599 -0.513740
O 5.246224 1.596765 -0.645747
N -0.807636 -0.923620 -0.026792
N 5.412745 0.462585 1.608199
C -4.391429 0.318477 0.017963
C -5.761800 -0.367046 0.010960
C -3.251239 -0.709617 -0.009895
C -6.897750 0.665942 0.039359
C -1.907008 -0.012499 -0.006396
C -8.269131 -0.004581 0.032769
C 0.572424 -0.579922 -0.035986
C 3.318568 -0.036500 -0.049482
C 1.504730 -1.646137 -0.041314
C 1.023523 0.754012 -0.044090
C 2.866315 -1.362302 -0.048513
C 2.390925 1.013423 -0.052917
H -4.286834 0.967474 0.911775
H -4.296397 1.004368 -0.849116
H -5.864480 -1.008291 -0.885689
H -5.854683 -1.046263 0.880238
H -3.337933 -1.387986 0.864599
H -3.349983 -1.353121 -0.909348
H -6.800390 1.309414 0.936177
H -6.810304 1.346901 -0.830447
H -8.416297 -0.618446 -0.863119
H -9.072853 0.740823 0.052778
H -8.406679 -0.655714 0.903475
H -1.011787 -1.926609 -0.037204
H 1.170572 -2.680145 -0.042412
H 0.306002 1.583113 -0.045944
H 3.590618 -2.186549 -0.063267
H 2.740309 2.053298 -0.072680
H 6.019753 -0.240233 2.023203
H 5.695643 1.381712 1.940111


%chk=000245904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245904

0 1
S 5.167628 0.228066 -0.051616
O -1.786863 1.359963 0.004367
O 5.865397 -1.138666 -0.604565
O 5.435823 1.701842 -0.693340
N -0.824286 -0.781661 0.002560
N 5.629237 0.346872 1.729872
C -4.467219 0.364456 0.008377
C -5.825770 -0.369927 0.007107
C -3.275051 -0.610953 0.007340
C -7.031212 0.597815 0.007112
C -1.916087 0.103866 0.004973
C -8.390618 -0.133770 0.005205
C 0.562400 -0.487645 -0.004542
C 3.317950 -0.056739 -0.017549
C 1.463187 -1.591297 -0.005013
C 1.069569 0.842912 -0.022968
C 2.853192 -1.382189 -0.010355
C 2.462590 1.055730 -0.029515
H -4.395663 1.026096 0.892244
H -4.395185 1.027925 -0.874045
H -5.892472 -1.032025 -0.882300
H -5.893536 -1.033625 0.895265
H -3.330989 -1.274974 0.895643
H -3.333221 -1.275124 -0.880684
H -6.966483 1.259441 0.894699
H -6.964999 1.261081 -0.879121
H -8.494161 -0.777799 -0.888670
H -9.233750 0.581079 0.005026
H -8.495889 -0.779468 0.897686
H -1.062807 -1.777003 0.004654
H 1.074324 -2.617007 -0.004185
H 0.371805 1.681184 -0.033665
H 3.558928 -2.218167 -0.034170
H 2.874282 2.069246 -0.067611
H 6.307695 -0.407608 1.929790
H 6.013353 1.292674 1.895195


