%chk=000243825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243825

0 1
S 3.234445 2.752364 0.502252
O 5.816705 -1.392474 -0.433561
O -6.628159 -0.495856 -0.287200
O -5.319672 -2.218058 -0.318743
N 1.002397 -1.769130 -0.183077
N 4.554227 0.468685 0.002329
N -0.231657 -1.107467 -0.202437
N 2.155373 0.338035 0.106321
N -5.537653 -1.028685 -0.160416
C 2.219467 -1.035615 -0.193185
C -2.045551 0.092237 0.704336
C -0.675681 -0.484834 0.853607
C 3.436895 -1.665903 -0.394572
C 3.301651 1.016152 0.176304
C 4.685953 -0.974872 -0.300293
C -3.118060 -0.730737 0.337022
C -2.254957 1.461906 0.931787
C 0.944925 -2.939354 -1.118364
C -4.395045 -0.164724 0.218507
C -0.015166 -0.278797 2.176205
C 5.777863 1.296919 0.098927
C -3.534637 2.010951 0.802076
C -4.615376 1.202150 0.446412
C 1.480150 3.149161 0.529010
H 3.517931 -2.727704 -0.619904
H -2.966199 -1.799173 0.137852
H -1.413147 2.100047 1.205966
H 1.324548 -2.705092 -2.126329
H -0.095448 -3.296484 -1.228187
H 1.541316 -3.757930 -0.679904
H -0.730252 -0.098843 2.987936
H 0.592548 -1.154077 2.461454
H 0.683519 0.574506 2.139433
H 6.668089 0.652973 -0.077813
H 5.884444 1.742953 1.102221
H 5.786877 2.093464 -0.664798
H -3.690782 3.076129 0.977272
H -5.623906 1.617265 0.342003
H 1.373796 4.225900 0.337784
H 1.028368 2.908486 1.498374
H 0.920362 2.603125 -0.248907


%chk=000243825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243825

0 1
S 3.013426 2.851174 -0.105716
O 5.835987 -1.385037 -0.238275
O -6.261792 0.354663 -1.233387
O -4.643297 -1.000775 -2.092338
N 0.998203 -1.858624 -0.063658
N 4.425782 0.513640 -0.176758
N -0.300491 -1.314371 0.028650
N 2.048731 0.275832 -0.019867
N -5.079031 -0.163592 -1.213388
C 2.183200 -1.107610 -0.041584
C -1.993546 0.046715 0.987568
C -0.616761 -0.528101 1.051498
C 3.440992 -1.726163 -0.113702
C 3.143999 1.015957 -0.093379
C 4.648752 -0.944145 -0.182163
C -2.873906 -0.312651 -0.070333
C -2.456133 0.969588 1.967457
C 1.007324 -3.224192 -0.622596
C -4.166586 0.232551 -0.105138
C 0.248124 -0.253098 2.261477
C 5.616346 1.384987 -0.260792
C -3.760731 1.510482 1.903938
C -4.639101 1.146399 0.865617
C 1.142544 3.064345 -0.116324
H 3.568518 -2.808535 -0.093849
H -2.539323 -1.005056 -0.845652
H -1.796407 1.277707 2.784131
H 1.707899 -3.297319 -1.473150
H -0.015789 -3.438198 -0.966082
H 1.290842 -3.970460 0.142689
H -0.351806 -0.321229 3.186126
H 1.067633 -0.987021 2.325931
H 0.710593 0.749173 2.214036
H 6.488511 0.715385 -0.319794
H 5.697062 2.024064 0.635838
H 5.568580 2.021232 -1.161563
H -4.091404 2.219638 2.669471
H -5.653240 1.545728 0.788569
H 0.876164 3.663858 -0.998089
H 0.839806 3.568324 0.812585
H 0.710828 2.052335 -0.180305


