%chk=000242460.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242460

0 1
S 1.155034 1.723483 0.964819
S -2.899837 -1.686735 -0.023672
O 1.021705 1.586366 2.407920
O 1.590168 3.003636 0.409744
O -2.428549 -2.305996 1.195782
O -4.332023 -1.650680 -0.337282
N -4.146092 0.728897 -1.477989
N -2.203534 -2.608211 -1.297352
N 4.754814 -2.569155 -0.941694
C -0.374757 1.368683 0.229054
C -2.253705 -0.125211 -0.196490
C -1.003090 0.147194 0.389486
C 2.205200 0.477885 0.406911
C -2.905058 0.910030 -0.918768
C -1.010078 2.382715 -0.526792
C -2.247291 2.171239 -1.091872
C 2.805642 0.569768 -0.855373
C 2.503345 -0.611224 1.238244
C 3.668400 -0.420273 -1.308827
C 3.360017 -1.618156 0.813889
C 3.946943 -1.531341 -0.473769
H -0.524188 -0.642074 0.990483
H -0.500158 3.350111 -0.654993
H -2.732467 2.957540 -1.663842
H 2.602384 1.438444 -1.492428
H 2.061052 -0.663989 2.242615
H 4.122761 -0.342239 -2.291506
H 3.576543 -2.461336 1.463047
H -4.622241 1.494338 -1.927519
H -4.721773 -0.106720 -1.276336
H -2.804598 -2.908221 -2.060872
H -1.572552 -3.368250 -1.052987
H 5.116540 -3.243831 -0.287950
H 5.331843 -2.416585 -1.752081


%chk=000242460-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242460

0 1
S 1.104914 1.452342 1.189352
S -3.590062 -1.501856 0.342106
O 0.822152 0.885202 2.700391
O 1.535135 3.000831 0.857835
O -3.132344 -2.029311 1.808428
O -5.162714 -1.171224 0.003995
N -4.129116 0.697538 -1.848951
N -3.163578 -2.726159 -0.959248
N 5.442364 -2.088433 -1.157547
C -0.482349 1.156954 0.211630
C -2.519539 -0.041121 -0.133354
C -1.332311 0.115719 0.598981
C 2.418054 0.344530 0.432151
C -2.927369 0.830778 -1.193866
C -0.802579 2.044616 -0.835264
C -2.011519 1.885639 -1.524616
C 3.215111 0.852897 -0.608639
C 2.617434 -0.932135 0.986848
C 4.226152 0.034816 -1.142549
C 3.629322 -1.747966 0.451119
C 4.443501 -1.280297 -0.626588
H -1.105438 -0.527730 1.457826
H -0.120752 2.871167 -1.063014
H -2.284323 2.585493 -2.322314
H 3.062804 1.875841 -0.968775
H 2.012900 -1.260755 1.839116
H 4.860320 0.412508 -1.952895
H 3.803981 -2.745220 0.871347
H -4.372146 1.341256 -2.597533
H -4.837290 0.047835 -1.480647
H -4.001239 -3.307702 -1.129517
H -2.336412 -3.274717 -0.672458
H 5.618966 -3.015697 -0.781802
H 6.038369 -1.755538 -1.909949


