%chk=000243385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243385

0 1
S 1.611902 -1.734658 -1.159082
O 0.756318 -2.873845 -0.945855
O 2.249719 -1.564604 -2.453403
O -0.460620 -0.108422 1.565035
N 0.656115 -0.254992 -0.945686
N -0.696511 -0.535306 -0.697714
N -0.299671 3.731990 0.184327
C 0.904931 0.823912 -1.950031
C 2.793586 -1.586527 0.081944
C 0.288053 2.136189 -1.548034
C 4.141153 -1.804130 -0.241101
C 2.428988 -1.268718 1.393148
C -1.187224 -0.330686 0.617371
C -0.211334 3.005570 -2.527069
C 0.225854 2.542785 -0.196742
C -2.671359 -0.513904 0.701539
C 5.119074 -1.716554 0.749612
C 3.411804 -1.179101 2.386706
C 4.752041 -1.405345 2.066417
C -0.748308 4.237267 -2.143022
C -3.256245 -1.741705 0.366272
C -3.456466 0.551940 1.160476
C -0.775213 4.565566 -0.778582
C -4.640308 -1.897898 0.482668
C -4.840032 0.388319 1.270058
C -5.430685 -0.834085 0.931134
H 0.576262 0.525438 -2.974512
H 2.017829 0.951825 -2.016467
H -1.341072 -0.504468 -1.495566
H 4.429146 -2.036956 -1.272679
H 1.376942 -1.070722 1.656370
H -0.180643 2.731006 -3.581340
H 0.595538 1.888349 0.611885
H 6.165133 -1.888262 0.501262
H 3.123902 -0.929277 3.407848
H 5.517346 -1.337662 2.840867
H -1.137766 4.928872 -2.885926
H -2.633280 -2.572517 0.026107
H -2.987375 1.498283 1.438018
H -1.185754 5.519181 -0.428126
H -5.101565 -2.851077 0.227167
H -5.456876 1.212546 1.625884
H -6.509528 -0.959215 1.020923


%chk=000243385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243385

0 1
S 1.380836 -1.469756 -0.909290
O 0.050628 -2.369933 -0.537176
O 2.126191 -1.690863 -2.361119
O -0.605905 0.057875 1.895991
N 0.468950 0.569837 -0.636804
N -0.843260 0.254890 -0.431500
N 0.712502 4.852154 -0.793496
C 0.693366 1.205006 -1.980167
C 2.691589 -1.661817 0.436238
C 0.382072 2.694203 -1.915152
C 3.959653 -2.111434 0.030240
C 2.347504 -1.344702 1.760415
C -1.307332 -0.121927 0.865298
C -0.438666 3.315747 -2.885746
C 0.928191 3.508583 -0.887460
C -2.693746 -0.681622 0.870380
C 4.943532 -2.273597 1.032720
C 3.350793 -1.512992 2.744049
C 4.638054 -1.977434 2.382492
C -0.671131 4.707574 -2.805247
C -3.138357 -1.577522 -0.139246
C -3.554720 -0.341119 1.945609
C -0.076309 5.432344 -1.748127
C -4.449831 -2.097327 -0.085252
C -4.865482 -0.858102 1.988955
C -5.317762 -1.730964 0.969855
H 0.100356 0.719990 -2.787503
H 1.757686 1.030458 -2.218730
H -1.486117 0.109621 -1.226623
H 4.159065 -2.325737 -1.024824
H 1.352868 -0.961474 2.019088
H -0.882816 2.725003 -3.696000
H 1.550122 3.062915 -0.103172
H 5.941968 -2.629310 0.757516
H 3.123189 -1.272378 3.787588
H 5.406724 -2.102508 3.152965
H -1.298018 5.219852 -3.541689
H -2.436474 -1.925763 -0.906441
H -3.182952 0.323690 2.732343
H -0.229283 6.512949 -1.648684
H -4.786213 -2.803522 -0.851853
H -5.532575 -0.586507 2.814005
H -6.335085 -2.135977 1.007656


