%chk=000299355.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299355

0 1
O -4.166443 -0.228790 0.947118
O -0.145998 1.549858 1.294329
O -2.972699 -1.765421 -0.165881
N -0.894130 0.196469 -0.382461
N 3.820701 0.558946 -0.138745
C -2.296032 0.627796 -0.235386
C -2.852313 1.207235 -1.532721
C 0.107725 0.700581 0.460402
C 1.464004 0.128087 0.219507
C -3.122852 -0.609084 0.144714
C 1.695437 -1.253266 0.198199
C 2.556886 1.006109 0.060756
C 2.997241 -1.719291 0.001009
C 4.032164 -0.783959 -0.167389
H -2.365933 1.393165 0.598636
H -0.698177 -0.488556 -1.108688
H -2.270281 2.085360 -1.848716
H -3.892250 1.539759 -1.403537
H -2.833497 0.489940 -2.363076
H 0.873379 -1.957603 0.343597
H 2.419619 2.096290 0.098275
H 3.209065 -2.786514 -0.017390
H 5.070234 -1.102386 -0.327830
H -4.743351 -0.991624 1.225378


%chk=000299355-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299355

0 1
O -4.546823 -0.333362 0.458410
O -0.019840 2.043752 0.396121
O -2.906792 -1.905264 -0.028082
N -0.961334 -0.007949 -0.133049
N 3.895278 0.577583 -0.218463
C -2.333572 0.498525 -0.014069
C -2.762270 1.373692 -1.226027
C 0.125254 0.810081 0.114073
C 1.485260 0.169087 0.024686
C -3.249461 -0.710543 0.136231
C 1.721263 -1.226282 0.120142
C 2.609373 1.023126 -0.135157
C 3.046813 -1.704373 0.038645
C 4.096444 -0.772657 -0.133512
H -2.404002 1.124191 0.895807
H -0.860037 -0.992593 -0.393757
H -2.073206 2.230798 -1.292472
H -3.790001 1.747104 -1.083800
H -2.712815 0.795882 -2.165329
H 0.902020 -1.935845 0.285902
H 2.453653 2.105361 -0.189760
H 3.266334 -2.773545 0.116362
H 5.138733 -1.104798 -0.199667
H -5.127775 -1.138871 0.526864


