%chk=000229628.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229628

0 1
O 0.160536 1.903189 -1.172543
O -2.328222 -2.892022 0.014165
O -0.382807 -1.961827 -0.027435
N 3.047332 1.272279 0.198468
N -1.605884 -1.908647 0.005833
C -0.060448 0.649615 -0.501307
C 0.789592 0.553337 0.778725
C -1.544912 0.615570 -0.178644
C 2.216849 0.218288 0.441980
C -2.250359 -0.581831 0.051039
C -2.252477 1.827489 -0.120431
C -3.632606 -0.559369 0.330864
C -3.617269 1.850146 0.160438
C 2.653300 -1.118656 0.368553
C -4.310967 0.652934 0.389063
C 3.990909 -1.369827 0.059966
C 4.346171 1.008234 -0.102439
C 4.857700 -0.296597 -0.174287
H 0.208612 -0.151959 -1.236167
H 0.371286 -0.220924 1.458118
H 0.733279 1.512696 1.339776
H -1.706977 2.758870 -0.320472
H -4.161847 -1.505210 0.497228
H -4.149239 2.802745 0.200180
H 1.947936 -1.935657 0.535023
H 1.078903 2.229821 -1.008046
H -5.378894 0.672166 0.607022
H 4.356329 -2.395487 -0.000744
H 4.981109 1.882104 -0.289098
H 5.904265 -0.467271 -0.412028


%chk=000229628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229628

0 1
O 0.309945 1.846159 -0.988794
O -2.903037 -2.836369 -0.639457
O -0.736299 -2.189619 -0.404546
N 2.768483 1.022436 -0.381403
N -2.007608 -1.935032 -0.403494
C -0.087131 0.525371 -0.508848
C 0.763365 0.154194 0.753277
C -1.578832 0.568761 -0.173796
C 2.241516 0.038017 0.424407
C -2.460788 -0.551199 -0.117815
C -2.153622 1.839772 0.085415
C -3.836588 -0.414097 0.196559
C -3.515726 1.989265 0.415362
C 3.051765 -1.016446 0.911550
C -4.364368 0.857316 0.475379
C 4.424507 -1.046882 0.581086
C 4.090558 0.982208 -0.704879
C 4.960139 -0.028088 -0.239596
H 0.100743 -0.242380 -1.286509
H 0.403655 -0.788264 1.193308
H 0.615244 0.966224 1.493379
H -1.490425 2.703286 -0.012098
H -4.461564 -1.310620 0.209125
H -3.918269 2.987813 0.617594
H 2.604462 -1.800616 1.529848
H 1.330821 1.843285 -0.937810
H -5.423791 0.965912 0.728570
H 5.063768 -1.855218 0.951433
H 4.452555 1.785446 -1.355579
H 6.017723 -0.016435 -0.518871


