%chk=000269634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269634

0 1
O 0.703454 1.082872 -2.874032
O -1.861265 1.556833 0.750929
O 5.750333 -1.364459 2.131823
O 6.284991 -1.630423 0.053944
N 0.636484 1.202720 -0.561604
N -2.330404 1.252850 -1.454076
N 5.528185 -1.251562 0.935090
C 1.869428 0.578281 -0.238174
C -1.234577 2.131235 -1.887583
C 0.126444 1.409439 -1.859951
C -3.768722 0.187119 0.208097
C 2.174936 0.428077 1.138123
C 2.773022 0.123942 -1.221230
C -2.589173 1.049341 -0.093630
C 4.266473 -0.619372 0.530731
C 3.368965 -0.167369 1.516820
C 3.966816 -0.471892 -0.835986
C -3.603101 -0.883943 1.097628
C -5.025008 0.459033 -0.351137
C -4.696180 -1.696404 1.411050
C -6.114082 -0.354449 -0.028509
C -5.949236 -1.433050 0.848034
H -1.195959 3.049087 -1.247847
H -1.419368 2.478718 -2.933108
H 0.034074 1.486274 0.244816
H -2.820196 0.738489 -2.180502
H 1.478790 0.778145 1.900836
H 2.535896 0.239294 -2.286747
H 3.624343 -0.291871 2.575978
H 4.681077 -0.830318 -1.587391
H -2.626604 -1.074527 1.547091
H -5.158742 1.307314 -1.022314
H -4.571352 -2.532373 2.099438
H -7.093942 -0.146184 -0.457470
H -6.801199 -2.067066 1.096062


%chk=000269634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269634

0 1
O 0.798395 1.517318 -2.960237
O -1.714716 1.334029 0.839587
O 5.690607 -1.641439 2.098495
O 6.425881 -1.555706 -0.061562
N 0.644596 1.184913 -0.623095
N -2.313151 1.318318 -1.395896
N 5.536826 -1.329285 0.851119
C 1.873956 0.562267 -0.318621
C -1.235615 2.247888 -1.782908
C 0.173605 1.604878 -1.863469
C -3.757728 0.157682 0.231487
C 2.095031 0.198043 1.042975
C 2.878765 0.294696 -1.294052
C -2.538521 0.970673 -0.077325
C 4.276424 -0.678458 0.449182
C 3.291279 -0.420319 1.430976
C 4.077684 -0.325981 -0.904688
C -3.786523 -0.543144 1.464856
C -4.876015 0.079150 -0.641659
C -4.903589 -1.330529 1.809789
C -5.993697 -0.708809 -0.293769
C -6.007627 -1.419961 0.929009
H -1.214293 3.075037 -1.049007
H -1.458220 2.655548 -2.780508
H -0.039305 1.313710 0.155860
H -2.866867 0.885722 -2.135938
H 1.319876 0.406079 1.789249
H 2.704033 0.576421 -2.333495
H 3.479752 -0.706363 2.468709
H 4.864082 -0.541727 -1.632817
H -2.925656 -0.451953 2.134777
H -4.906523 0.658183 -1.572792
H -4.915838 -1.872803 2.761047
H -6.855870 -0.759398 -0.967107
H -6.876440 -2.030880 1.197030


