%chk=000216088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216088

0 1
O -1.459448 2.161966 -0.056984
O -3.370570 0.393525 -0.330133
N 3.588835 0.429466 -0.776441
C 2.651803 0.174583 0.344206
C 1.489128 1.214517 0.298344
C 1.983991 -1.240641 0.314736
C 0.240607 0.405998 0.124872
C 0.516625 -0.988088 0.133493
C -1.065154 0.848234 -0.031710
C -0.492948 -1.923588 -0.010847
C -2.105563 -0.120437 -0.180255
C -1.822288 -1.483088 -0.169646
H 3.227964 0.295212 1.293939
H 1.634169 1.942561 -0.523246
H 1.466575 1.803943 1.233151
H 2.177683 -1.784931 1.256697
H 2.386778 -1.876818 -0.491529
H -0.278066 -2.988829 -0.002970
H 3.124064 0.352332 -1.676942
H 4.358241 -0.232966 -0.773596
H -2.619484 -2.212255 -0.282853
H -0.681040 2.767510 0.043830
H -4.041001 -0.328906 -0.426116


%chk=000216088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216088

0 1
O -1.362178 2.214992 -0.057678
O -3.330611 0.413316 -0.577245
N 3.181770 0.361875 -1.102138
C 2.693383 0.186180 0.282813
C 1.528526 1.198061 0.545104
C 2.040568 -1.216983 0.582409
C 0.281885 0.383263 0.225498
C 0.571891 -1.006246 0.240694
C -1.018903 0.852322 -0.040157
C -0.441456 -1.944446 -0.023469
C -2.047737 -0.095383 -0.308530
C -1.751655 -1.478175 -0.298152
H 3.546275 0.377463 0.957933
H 1.675733 2.095819 -0.084917
H 1.528132 1.522566 1.605222
H 2.155175 -1.471862 1.656827
H 2.521451 -2.024419 -0.000088
H -0.233871 -3.019558 -0.019119
H 2.440705 0.237728 -1.803769
H 4.002088 -0.213491 -1.323998
H -2.555178 -2.196308 -0.510518
H -0.555688 2.763619 0.113688
H -3.959406 -0.331035 -0.750411


