%chk=000255399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255399

0 1
O 4.611491 -1.343938 0.502379
O -4.322124 -1.692873 -0.466695
N 2.291679 -0.487635 -0.939233
N -2.088838 -0.609799 0.959975
N 0.107097 -0.580860 0.024596
N -1.140817 1.498577 0.344874
N 1.194550 1.567550 -0.409320
N 0.029465 3.564549 0.081155
N -1.170420 4.315660 0.192228
C 2.500834 -1.924180 -0.594846
C 3.585980 0.246874 -1.051980
C -2.187005 -2.070556 0.672257
C -3.435395 0.027883 1.032852
C 3.369081 -2.058415 0.666485
C 4.429001 0.059433 0.218925
C -3.028236 -2.319934 -0.589500
C -4.247315 -0.270375 -0.237578
C 1.189797 0.179544 -0.390367
C -1.031233 0.114991 0.395365
C 0.014521 2.166813 -0.018183
H 3.006792 -2.395619 -1.468528
H 1.524724 -2.444516 -0.464125
H 3.409290 1.328688 -1.256307
H 4.117046 -0.168361 -1.938903
H -2.665310 -2.543675 1.560486
H -1.173025 -2.521090 0.571036
H -3.343738 1.124927 1.201063
H -3.944898 -0.395301 1.929237
H 2.850983 -1.684831 1.567348
H 3.714705 -3.094624 0.830471
H 5.468848 0.408832 0.088805
H 3.971577 0.550962 1.095709
H -2.528855 -1.946881 -1.500981
H -3.295697 -3.384603 -0.712891
H -5.311733 0.005187 -0.130579
H -3.816985 0.218621 -1.129029
H 0.751032 4.072376 -0.450811
H -1.488472 4.265986 1.172382
H -1.933795 3.903516 -0.364373


%chk=000255399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255399

0 1
O 4.932973 -1.565271 0.162403
O -4.626833 -1.932678 -0.121631
N 2.404914 -0.361171 -0.457048
N -2.206548 -0.520976 0.490187
N 0.101017 -0.487659 0.022419
N -1.177151 1.582571 0.235017
N 1.218047 1.662510 -0.256308
N -0.028860 3.618912 -0.042389
N -1.183448 4.404008 0.174900
C 2.531260 -1.829998 -0.438655
C 3.654836 0.364739 -0.753771
C -2.220570 -1.995550 0.513549
C -3.511590 0.115004 0.751167
C 3.669021 -2.235200 0.519809
C 4.761947 -0.100772 0.211892
C -3.310997 -2.514392 -0.444792
C -4.566814 -0.461866 -0.213090
C 1.210658 0.288077 -0.223477
C -1.061111 0.207251 0.243032
C -0.003518 2.236675 -0.018470
H 2.767411 -2.190295 -1.461131
H 1.566591 -2.256433 -0.122038
H 3.458794 1.443898 -0.654418
H 3.962935 0.147329 -1.797147
H -2.441508 -2.343642 1.543502
H -1.221982 -2.354990 0.219741
H -3.395992 1.202596 0.621792
H -3.817351 -0.094723 1.796845
H 3.389823 -1.976832 1.564486
H 3.880314 -3.315024 0.449731
H 5.740462 0.317377 -0.076165
H 4.513390 0.212634 1.249049
H -3.038771 -2.266311 -1.493783
H -3.440652 -3.604606 -0.344453
H -5.578316 -0.111342 0.050492
H -4.327855 -0.160751 -1.256227
H 0.842524 4.110533 -0.238275
H -1.559860 4.247531 1.120507
H -1.902588 4.201738 -0.533849


