%chk=000243163.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243163

0 1
S 3.046766 0.959248 -0.116527
O 6.653770 -0.460193 -0.473827
O 5.795250 1.612716 -0.471861
N -1.901521 0.716569 0.428889
N -0.029947 2.029540 0.132104
N -0.795356 -1.526318 0.419149
N 1.668983 -1.325852 0.143855
N 0.591152 -3.433734 0.260022
C -3.994020 0.342506 -0.850265
C -5.508262 0.049549 -0.791717
C -3.328011 0.350883 0.532243
C -6.272663 1.152674 -0.050650
C -5.799522 -1.324359 -0.178674
C -0.821953 -0.159829 0.338841
C 0.351622 0.678781 0.164451
C -1.357205 2.038518 0.277967
C 1.590378 0.014794 0.075595
C 0.472462 -2.052587 0.293077
C 4.330347 -0.319123 -0.193639
C 5.600744 0.425549 -0.388578
H -3.499342 -0.416541 -1.491643
H -3.828264 1.312313 -1.359080
H -5.871818 0.034937 -1.853408
H -3.832781 1.071980 1.213972
H -3.401091 -0.659917 1.003848
H -6.068868 2.140393 -0.477524
H -7.355039 0.988635 -0.110701
H -6.014423 1.191249 1.012627
H -6.856881 -1.590031 -0.289963
H -5.210978 -2.112625 -0.662231
H -5.571690 -1.356945 0.891847
H -1.992238 2.913190 0.300328
H 4.139350 -1.049799 -1.013865
H 4.346844 -0.946807 0.726736
H 1.506929 -3.844562 0.363064
H -0.198855 -3.994214 0.544581
H 7.527830 -0.002890 -0.606040


%chk=000243163-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243163

0 1
S 3.098054 1.143421 -0.098415
O 6.601482 -0.855156 -0.503350
O 6.090614 1.413382 -0.453065
N -1.902542 0.857079 0.485792
N -0.043933 2.197715 0.255282
N -0.822541 -1.363713 0.383974
N 1.621422 -1.183671 0.107831
N 0.555385 -3.262361 0.267081
C -3.972524 0.328723 -0.818650
C -5.476495 -0.066004 -0.795853
C -3.318642 0.456592 0.578511
C -6.362268 1.013933 -0.126092
C -5.712715 -1.456169 -0.155199
C -0.814225 -0.006017 0.365680
C 0.332076 0.841161 0.227932
C -1.378006 2.163019 0.405742
C 1.574546 0.172120 0.094064
C 0.437391 -1.889882 0.253712
C 4.303681 -0.298047 -0.221480
C 5.711416 0.226514 -0.399754
H -3.405958 -0.428511 -1.394544
H -3.858717 1.293390 -1.352622
H -5.786958 -0.134899 -1.859550
H -3.844905 1.205659 1.196347
H -3.347890 -0.510764 1.108137
H -6.200812 2.008374 -0.583433
H -7.433337 0.761995 -0.234365
H -6.154740 1.097703 0.957682
H -6.762288 -1.775566 -0.292795
H -5.059896 -2.224447 -0.609791
H -5.514437 -1.442801 0.933112
H -2.018790 3.040172 0.473501
H 4.021755 -0.942888 -1.068634
H 4.233729 -0.914457 0.688670
H 1.475482 -3.681381 0.171731
H -0.279434 -3.830939 0.374826
H 7.526720 -0.505581 -0.619009


