%chk=000296898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296898

0 1
O -3.021159 -1.761953 -0.521085
N -1.147268 0.154887 0.130806
N -2.479574 0.450042 -0.042954
C 1.439967 -0.880837 0.472415
C 2.826048 0.070531 -1.055629
C 1.161537 0.651212 0.641754
C 1.699747 -1.000432 -1.054789
C 2.090455 1.293608 -0.438774
C 2.857171 -1.154597 1.053547
C 3.804985 -0.497477 0.012320
C -0.282483 1.072637 0.455054
C -0.571564 2.530415 0.685266
C -3.365062 -0.613742 -0.381759
C -4.785159 -0.130484 -0.543698
H 0.650529 -1.528538 0.873785
H 3.293084 0.276838 -2.024165
H 1.468848 0.974804 1.662432
H 0.825516 -0.737874 -1.664503
H 2.029235 -1.996773 -1.369075
H 1.514787 1.828657 -1.208633
H 2.787140 2.016641 0.004623
H 3.040319 -2.236175 1.137963
H 2.987454 -0.732390 2.058570
H 4.429755 0.286797 0.459714
H 4.487555 -1.236368 -0.431995
H -1.018485 3.000966 -0.200399
H -1.252197 2.675383 1.534967
H 0.338807 3.102535 0.912810
H -2.832410 1.404233 0.062507
H -5.190767 0.304420 0.377856
H -4.891367 0.605458 -1.349937
H -5.433642 -0.984124 -0.804793


%chk=000296898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296898

0 1
O -3.177935 -1.806918 -0.539638
N -1.148081 0.035312 0.145305
N -2.487123 0.383496 -0.030487
C 1.493219 -0.905650 0.472701
C 2.879349 0.086640 -1.048910
C 1.164925 0.610760 0.641628
C 1.777944 -1.011162 -1.053250
C 2.108803 1.296410 -0.441792
C 2.911416 -1.155998 1.066552
C 3.868832 -0.456927 0.026851
C -0.295255 0.990523 0.450710
C -0.668260 2.458464 0.631044
C -3.443863 -0.591121 -0.370255
C -4.851814 -0.001863 -0.512795
H 0.702711 -1.565578 0.857228
H 3.352568 0.311867 -2.019527
H 1.460532 0.954528 1.655639
H 0.898697 -0.763706 -1.671281
H 2.158200 -2.005444 -1.348900
H 1.510885 1.805750 -1.221128
H 2.789458 2.043612 0.005805
H 3.115258 -2.240646 1.125551
H 3.019229 -0.743954 2.087085
H 4.468732 0.354223 0.479121
H 4.574190 -1.181868 -0.418985
H -1.149779 2.881464 -0.274086
H -1.368466 2.598502 1.479831
H 0.229350 3.061862 0.837570
H -2.805505 1.355324 0.085294
H -5.195048 0.459520 0.431794
H -4.890379 0.767233 -1.306540
H -5.540989 -0.816355 -0.777933


