%chk=000260837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260837

0 1
S 4.738032 0.076472 1.268671
O 4.747848 1.243385 2.131483
O 5.096528 -1.233516 1.779689
N -0.370139 -0.202601 -1.757853
N -2.010096 -1.857940 -0.945177
N -3.601337 -1.248027 0.661809
N -4.154003 1.121067 1.049692
N -3.185378 2.841642 -0.203763
N 5.898156 0.413684 0.038646
N -5.155205 -0.600284 2.318141
C -1.403755 0.877325 -1.615978
C -1.026042 -1.514534 -2.007646
C -2.442466 0.524164 -0.596459
C 0.787799 -0.161922 -0.936236
C -2.690792 -0.844614 -0.287172
C -3.231950 1.477421 0.089184
C 1.237258 1.066791 -0.391482
C 1.586377 -1.319584 -0.761214
C 3.243869 -0.015045 0.437986
C 2.449882 1.129485 0.282837
C 2.796627 -1.235944 -0.083069
C -4.289332 -0.232267 1.305878
H -1.875236 1.010077 -2.619882
H -0.898900 1.839672 -1.369398
H -0.269406 -2.334058 -2.089306
H -1.567225 -1.434326 -2.987879
H -2.091986 -2.817930 -0.621591
H 0.631380 1.965722 -0.497738
H 1.260716 -2.280361 -1.155938
H 2.782913 2.084434 0.708383
H 3.401540 -2.141004 0.054005
H -3.684118 3.468738 0.417814
H -2.343520 3.222865 -0.601364
H 6.356128 1.321814 0.052287
H 6.590199 -0.301545 -0.171676
H -5.778365 0.087878 2.711027
H -5.382502 -1.574136 2.445388


%chk=000260837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260837

0 1
S 5.157688 0.145109 1.092027
O 5.396474 1.656669 1.656674
O 5.358157 -1.196544 1.997342
N -0.382019 -0.048355 -1.415728
N -1.910446 -1.794401 -0.754078
N -3.807641 -1.370692 0.568143
N -4.624776 0.919103 0.866495
N -3.550493 2.748249 -0.090948
N 6.312724 -0.038960 -0.344668
N -5.684390 -0.900448 1.883574
C -1.381575 1.034681 -1.225302
C -1.016818 -1.311107 -1.813379
C -2.607293 0.512714 -0.472799
C 0.882631 -0.012707 -0.801234
C -2.795602 -0.875064 -0.206381
C -3.588422 1.376257 0.093634
C 1.570672 1.231852 -0.637096
C 1.532980 -1.207493 -0.356752
C 3.459843 0.079443 0.330008
C 2.854703 1.283058 -0.070129
C 2.822912 -1.165554 0.200490
C -4.666790 -0.433126 1.080708
H -1.660947 1.466056 -2.212267
H -0.909757 1.843678 -0.637384
H -0.261063 -2.073003 -2.054071
H -1.594634 -1.100183 -2.739109
H -2.086662 -2.785183 -0.586038
H 1.116154 2.161740 -0.991387
H 1.013403 -2.168072 -0.397915
H 3.376209 2.235939 0.064832
H 3.307665 -2.074424 0.571319
H -4.275876 3.301108 0.360484
H -2.876730 3.200951 -0.699765
H 6.897484 0.813926 -0.376556
H 6.867282 -0.897359 -0.183495
H -6.342161 -0.238122 2.283514
H -5.749390 -1.896740 2.069335


