%chk=000252873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252873

0 1
O 5.754402 0.490479 0.124457
O -6.089403 0.075698 -0.479002
N 1.132095 0.493011 -0.414039
N -1.260398 0.548289 0.131819
N 3.773485 -0.608397 -0.142995
N -3.901633 -0.518530 -0.266170
C 2.291877 1.247898 -0.995008
C -2.469694 1.407196 0.420613
C -0.047373 1.390552 -0.167272
C 1.505665 -0.274144 0.815606
C -1.547429 -0.375312 -1.015703
C 2.591030 -1.315777 0.436455
C -2.729537 -1.326803 -0.698954
C 3.414911 0.224759 -1.320823
C -3.640978 0.465323 0.810116
C 2.827874 2.391417 -0.126358
C -2.207703 2.360827 1.591324
C 2.943084 -2.191752 1.637045
C -2.358506 -2.361876 0.367344
C 4.941017 -0.307250 0.568441
C -5.162749 -0.630259 -0.848525
H 1.933336 1.674819 -1.970615
H -2.769253 2.004669 -0.480303
H -0.185855 2.028537 -1.072971
H 0.116314 2.064484 0.708043
H 0.593836 -0.798397 1.184395
H 1.856581 0.374593 1.644275
H -0.631256 -0.984262 -1.200775
H -1.757985 0.173266 -1.959049
H 2.188090 -1.972117 -0.386141
H -3.002374 -1.865835 -1.646149
H 3.082459 -0.451906 -2.138685
H 4.326110 0.760017 -1.681239
H -3.401158 -0.077110 1.751671
H -4.567576 1.060285 0.994131
H 3.736273 2.827313 -0.564730
H 2.101843 3.200189 -0.011085
H 3.112576 2.047896 0.875073
H -1.518279 3.167739 1.321296
H -3.137361 2.836178 1.928286
H -1.777876 1.832206 2.452399
H 3.251520 -1.613754 2.515454
H 2.074654 -2.791126 1.942234
H 3.746692 -2.901013 1.399348
H -1.933647 -1.875524 1.257626
H -3.229555 -2.940371 0.693585
H -1.606265 -3.063121 -0.007520
H 5.109507 -0.880641 1.490828
H -5.252489 -1.390164 -1.639150


%chk=000252873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252873

0 1
O 5.921391 -0.172739 -0.301012
O -6.172454 -0.219043 -0.330463
N 1.101651 0.613249 -0.276813
N -1.300504 0.675782 0.025384
N 3.636219 -0.645768 -0.043635
N -3.845163 -0.563723 -0.291158
C 2.259458 1.190893 -1.018071
C -2.511707 1.394727 0.527802
C -0.077678 1.489836 -0.156636
C 1.467687 -0.071607 0.980810
C -1.610097 -0.115697 -1.192014
C 2.483182 -1.210224 0.712524
C -2.656707 -1.214013 -0.895538
C 3.259071 0.041657 -1.297411
C -3.602488 0.340025 0.846535
C 2.950033 2.394340 -0.321057
C -2.244964 2.222692 1.800891
C 2.867658 -1.931535 2.014772
C -2.093097 -2.342663 -0.003019
C 4.962351 -0.691931 0.345723
C -5.121938 -0.755585 -0.786116
H 1.870065 1.530472 -1.999387
H -2.918912 2.069745 -0.268955
H -0.115226 2.112041 -1.086247
H -0.004191 2.186452 0.705896
H 0.539960 -0.497492 1.402539
H 1.902922 0.625511 1.739915
H -0.665220 -0.571760 -1.534746
H -2.002694 0.543219 -2.007991
H 1.981871 -1.935948 0.035810
H -2.980598 -1.649486 -1.861923
H 2.783815 -0.690494 -1.979363
H 4.186583 0.421634 -1.757442
H -3.281772 -0.243330 1.732760
H -4.562685 0.832163 1.077872
H 3.719210 2.828717 -0.984429
H 2.219815 3.188553 -0.080785
H 3.453547 2.089394 0.613042
H -1.672835 3.144572 1.601318
H -3.207083 2.528232 2.250493
H -1.693195 1.619607 2.545334
H 3.340973 -1.250628 2.745217
H 1.949169 -2.333088 2.478284
H 3.547541 -2.782333 1.833467
H -1.663811 -1.927206 0.924467
H -2.885183 -3.065253 0.261117
H -1.291702 -2.884906 -0.537647
H 5.126955 -1.234773 1.297600
H -5.130324 -1.450092 -1.659105


