%chk=000212879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212879

0 1
O -4.016972 -1.820953 -0.516621
O -1.965810 -2.609584 -0.147381
N 0.015803 -0.761633 0.244444
N 3.924285 1.805811 -1.247167
C -1.000432 0.190588 0.216303
C 1.424447 -0.498750 0.227946
C -2.347166 -0.222515 -0.012975
C 1.969236 0.531179 -0.549696
C -0.740482 1.570985 0.452710
C 2.249498 -1.364217 0.972780
C 3.367426 0.717553 -0.547408
C -3.373770 0.751269 -0.039625
C -1.769663 2.491961 0.423442
C 3.631793 -1.166716 0.949565
C -3.097561 2.090325 0.165789
C 4.204311 -0.139060 0.203530
C -2.685329 -1.624520 -0.215126
H -0.256287 -1.766873 0.259393
H 1.329570 1.167882 -1.154262
H 0.273809 1.895689 0.687602
H 1.821910 -2.167264 1.566099
H -4.400278 0.417159 -0.226951
H -1.559169 3.547594 0.608457
H 4.274928 -1.831037 1.530009
H -3.891303 2.831792 0.139557
H 5.279260 0.006824 0.209199
H 4.906935 1.761492 -1.469235
H 3.370460 2.220538 -1.980844
H -4.224951 -2.786818 -0.645335


%chk=000212879-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212879

0 1
O -4.032542 -1.915934 -0.407510
O -1.851839 -2.594554 -0.051715
N 0.014446 -0.691180 0.230532
N 4.034842 1.742601 -1.273931
C -1.016055 0.239300 0.192914
C 1.422334 -0.477641 0.219474
C -2.382335 -0.207186 -0.004740
C 2.027899 0.569421 -0.518613
C -0.797397 1.640887 0.390840
C 2.232636 -1.415279 0.916338
C 3.443419 0.708821 -0.543347
C -3.441666 0.745789 -0.042097
C -1.864001 2.549722 0.359310
C 3.635830 -1.277554 0.876553
C -3.197983 2.115044 0.125906
C 4.250600 -0.225669 0.169178
C -2.683818 -1.634106 -0.147781
H -0.311788 -1.674672 0.236868
H 1.410856 1.245219 -1.120012
H 0.211916 1.995885 0.610826
H 1.762640 -2.223477 1.486018
H -4.457503 0.373128 -0.199367
H -1.660508 3.613175 0.531583
H 4.261190 -1.997702 1.416435
H -4.020942 2.835389 0.095782
H 5.342525 -0.127735 0.156707
H 5.045339 1.823553 -1.331559
H 3.468653 2.406292 -1.793759
H -4.132251 -2.902837 -0.476634


