%chk=000230712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230712

0 1
S -1.286623 -1.219859 0.000719
O -0.531418 0.378582 0.000434
O -1.000871 -1.825471 1.265056
O -1.000578 -1.826629 -1.263018
N 1.489200 -0.688476 0.000853
C 3.560304 0.639862 0.000269
C 2.777619 1.852238 -0.000273
C 2.877136 -0.613820 0.000833
C -2.881734 -0.583320 0.000136
C 0.813862 0.468702 0.000292
C 1.402644 1.771189 -0.000244
C 4.987775 0.625575 0.000288
C 3.452283 3.182888 -0.000856
C 3.617821 -1.840481 0.001378
C -3.534768 -0.326317 -1.212132
C -3.532784 -0.318913 1.211882
C -5.487596 0.452725 -0.000906
C -4.830517 0.187671 -1.215913
C -4.828511 0.195124 1.214631
C 5.681854 -0.559708 0.000820
C 4.988220 -1.805187 0.001367
C -6.867770 1.017450 -0.001376
H 0.753547 2.641124 -0.000631
H 5.523787 1.573995 -0.000128
H 4.091113 3.307255 -0.888485
H 2.740010 4.020014 -0.001204
H 4.091145 3.308019 0.886642
H 3.057488 -2.777802 0.001779
H -3.029422 -0.535846 -2.162632
H -3.025959 -0.522702 2.162814
H -5.332559 0.384509 -2.161538
H -5.329020 0.397781 2.159840
H 6.769795 -0.568462 0.000833
H 5.568531 -2.728026 0.001778
H -6.836452 2.118941 -0.000979
H -7.447929 0.714597 -0.884552
H -7.448523 0.713979 0.881220


%chk=000230712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230712

0 1
S -1.270136 -1.259888 0.000711
O -0.501290 0.564310 0.000013
O -1.022575 -1.990393 1.422959
O -1.022329 -1.991692 -1.420835
N 1.535909 -0.591365 0.001553
C 3.667144 0.672924 0.000107
C 2.921258 1.916409 -0.001237
C 2.922093 -0.569392 0.001361
C -3.013135 -0.564884 0.000183
C 0.883573 0.572177 0.000421
C 1.527123 1.858164 -0.001184
C 5.096771 0.612547 0.000180
C 3.633788 3.253184 -0.002709
C 3.619637 -1.815961 0.002750
C -3.632724 -0.332230 -1.237234
C -3.632854 -0.330514 1.237238
C -5.631316 0.420429 -0.000632
C -4.956106 0.159465 -1.222748
C -4.956201 0.161168 1.221932
C 5.761549 -0.618529 0.001477
C 5.017731 -1.838934 0.002797
C -7.040926 0.981431 -0.000987
H 0.912671 2.761511 -0.002295
H 5.676105 1.542048 -0.000809
H 4.281436 3.361525 -0.892890
H 2.913308 4.087474 -0.003605
H 4.281487 3.363476 0.887198
H 3.023491 -2.733173 0.003742
H -3.108861 -0.549204 -2.173156
H -3.109094 -0.546198 2.173515
H -5.469314 0.342549 -2.173520
H -5.469512 0.345589 2.172398
H 6.856475 -0.651553 0.001507
H 5.548945 -2.797085 0.003826
H -7.022231 2.088629 0.002201
H -7.604201 0.666092 -0.896249
H -7.606588 0.661094 0.891020


