%chk=000252939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252939

0 1
O -0.727895 -0.701857 1.014497
O -0.621360 0.100428 -1.154609
O 2.387787 -1.836931 0.699442
O 2.418156 -1.167609 -1.354899
N 2.117608 -1.044441 -0.183442
C -1.488046 -0.066072 -0.024626
C -2.549933 -1.084755 -0.458549
C -2.169759 1.235328 0.429681
C 1.408739 0.262275 0.241543
C -3.906323 -0.422534 -0.181461
C -3.641904 1.085224 0.009545
C 0.464271 -0.032255 1.431448
C 0.590477 0.829403 -0.937965
C 2.522574 1.237865 0.683773
C 3.435873 1.686954 -0.449400
H -2.420876 -2.034417 0.095002
H -2.413737 -1.330233 -1.530539
H -1.709056 2.124259 -0.028278
H -2.084005 1.349752 1.524796
H -4.365665 -0.852326 0.727060
H -4.616521 -0.602187 -1.005555
H -3.827688 1.629076 -0.934423
H -4.321112 1.518809 0.761342
H 0.904625 -0.764231 2.144761
H 0.196051 0.898869 1.960733
H 0.353351 1.895063 -0.772093
H 1.113185 0.698239 -1.911568
H 3.128050 0.761872 1.486589
H 2.055876 2.127052 1.156466
H 3.824560 0.841141 -1.036422
H 2.929117 2.357345 -1.153345
H 4.307581 2.228395 -0.059002


%chk=000252939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252939

0 1
O -0.700586 -0.808973 1.006981
O -0.658481 0.125965 -1.213780
O 2.537600 -1.786682 0.670544
O 2.240610 -1.211505 -1.507770
N 2.086541 -1.011189 -0.250670
C -1.503312 -0.130611 -0.028412
C -2.617651 -1.100328 -0.477329
C -2.210293 1.159870 0.495308
C 1.390463 0.310950 0.222122
C -3.956106 -0.429592 -0.071745
C -3.630443 1.085994 -0.120786
C 0.467767 -0.028289 1.416809
C 0.553618 0.901789 -0.931707
C 2.539042 1.258106 0.678220
C 3.547164 1.652757 -0.422145
H -2.458801 -2.090694 -0.021988
H -2.542366 -1.208890 -1.572970
H -1.677648 2.090232 0.231582
H -2.279093 1.098396 1.598546
H -4.235609 -0.719730 0.959291
H -4.789016 -0.712901 -0.737931
H -3.602236 1.430210 -1.172277
H -4.361566 1.709709 0.422731
H 1.000417 -0.651907 2.149978
H 0.162891 0.928401 1.892431
H 0.303416 1.949416 -0.656879
H 1.114208 0.896657 -1.876779
H 3.068919 0.766843 1.516648
H 2.063133 2.170235 1.089028
H 4.042661 0.769824 -0.862154
H 3.065722 2.214853 -1.242068
H 4.333038 2.298582 0.007674


