%chk=000244952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244952

0 1
P -0.357433 -0.240350 0.440494
O -0.587826 -0.744072 1.834142
N -1.625861 0.868692 -0.103545
N -0.380658 -1.551025 -0.741774
N 1.131805 0.624051 0.246900
C -2.632563 1.314759 0.920506
C -1.151026 -2.798903 -0.418506
C -1.607809 2.289689 0.362984
C -1.608227 -1.870168 -1.532885
C 2.330237 -0.018086 0.899809
C 1.524290 1.314275 -1.027673
C 3.546691 0.677952 0.240261
C 3.063419 1.143576 -1.137781
C -4.065811 1.354903 0.461234
C -0.458218 -4.098860 -0.732487
C 2.291859 0.198479 2.412561
C 0.833878 0.842258 -2.306714
H -2.527124 0.976272 1.970794
H -1.743960 -2.849197 0.513867
H -1.896946 3.021010 -0.398890
H -0.807206 2.683710 0.996205
H -1.417686 -2.127113 -2.579980
H -2.527670 -1.285286 -1.439712
H 2.379890 -1.117707 0.682300
H 1.275783 2.398073 -0.862353
H 4.405276 -0.006866 0.166229
H 3.882176 1.538397 0.846313
H 3.543774 2.086608 -1.441124
H 3.323940 0.398096 -1.910054
H -4.567585 0.397700 0.655366
H -4.621763 2.141824 0.986186
H -4.150576 1.548490 -0.617559
H -1.185012 -4.882617 -0.976402
H 0.234260 -4.004364 -1.580945
H 0.137686 -4.438754 0.125873
H 3.214208 -0.148280 2.885707
H 2.147883 1.254087 2.670055
H 1.452861 -0.349920 2.878427
H 1.244936 1.356384 -3.182167
H 0.959778 -0.237261 -2.477112
H -0.245965 1.045145 -2.304248


%chk=000244952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244952

0 1
P -0.425677 -0.197090 0.540662
O -0.570281 -0.711286 2.065090
N -1.440269 1.203460 0.066024
N -0.985669 -1.399370 -0.681279
N 1.177518 0.262157 0.120642
C -2.855147 1.277209 0.621858
C -0.619150 -2.854563 -0.411215
C -1.777742 2.197937 1.165153
C -2.046935 -2.387232 -0.208070
C 2.318643 0.054933 1.080724
C 1.607824 0.971057 -1.128290
C 3.557660 0.522347 0.255926
C 3.092905 0.543062 -1.216629
C -3.926641 1.747694 -0.340807
C -0.189667 -3.665224 -1.617886
C 2.173541 0.830586 2.407734
C 0.793574 0.635457 -2.387785
H -3.143108 0.462422 1.303080
H -0.064577 -3.042127 0.520533
H -1.743744 3.243986 0.843096
H -1.400350 1.989949 2.175157
H -2.807661 -2.615633 -0.962075
H -2.396804 -2.301615 0.829052
H 2.395789 -1.025763 1.314449
H 1.553981 2.070079 -0.958946
H 4.426890 -0.136207 0.425352
H 3.842185 1.542550 0.576366
H 3.684672 1.232546 -1.844852
H 3.145517 -0.467726 -1.663742
H -4.261362 0.918184 -0.989554
H -4.804141 2.132652 0.211770
H -3.538525 2.551605 -0.989686
H -0.329197 -4.746230 -1.429518
H -0.783236 -3.382399 -2.504430
H 0.876793 -3.490569 -1.849836
H 3.082716 0.692752 3.024192
H 2.051568 1.912114 2.209134
H 1.300808 0.466167 2.975224
H 1.238490 1.164935 -3.251326
H 0.803777 -0.449639 -2.587337
H -0.257261 0.952435 -2.283653


