%chk=000211799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211799

0 1
O -5.389298 0.534901 1.234935
O 5.389542 0.540355 -1.231813
O -7.001653 2.070728 -0.158701
O 7.001814 2.070041 0.168657
N -1.448863 -0.326628 -0.058466
N 1.449044 -0.326849 0.057657
N -6.026976 1.293861 -0.818671
N 6.027113 1.290261 0.825148
C -0.686818 0.898358 0.352326
C -0.688622 -1.554576 0.344196
C 0.686970 0.899914 -0.347741
C 0.688832 -1.553032 -0.350401
C -2.831503 -0.323357 0.514582
C 2.831685 -0.321024 -0.515365
C -3.797510 0.181378 -0.587470
C 3.797689 0.178751 0.588949
C -4.130875 -0.925068 -1.587135
C 4.131051 -0.932175 1.583635
C -5.074100 0.697027 0.071891
C 5.074286 0.697346 -0.068081
H -1.262291 1.793189 0.035062
H -0.544561 0.968057 1.453575
H -1.263242 -2.445548 0.011704
H -0.551085 -1.635186 1.444875
H 1.262423 1.793354 -0.026542
H 0.544712 0.974454 -1.448673
H 0.551298 -1.628803 -1.451424
H 1.263475 -2.445443 -0.021831
H -2.930944 0.308458 1.425799
H -3.141438 -1.341332 0.835080
H 2.931137 0.314876 -1.423734
H 3.141617 -1.337550 -0.840432
H -3.301527 1.024909 -1.134219
H 3.301701 1.019816 1.139481
H -3.202475 -1.337348 -2.011178
H -4.742348 -0.561966 -2.420681
H -4.673357 -1.754767 -1.117783
H 4.673508 -1.759771 1.110554
H 4.742549 -0.572826 2.418787
H 3.202652 -1.346334 2.005842
H -5.715128 1.885973 -1.588471
H 5.715222 1.878967 1.597539
H -7.402150 1.451380 0.546855
H 7.402345 1.453827 -0.539618


%chk=000211799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211799

0 1
O -5.885878 -0.683673 0.110882
O 5.886554 -0.682858 -0.111802
O -7.073883 1.603475 0.724764
O 7.074335 1.607245 -0.715037
N -1.445142 -0.500094 -0.136570
N 1.445468 -0.500511 0.133938
N -5.729194 1.584546 0.210502
N 5.729307 1.585727 -0.201765
C -0.713110 0.716720 0.288489
C -0.710542 -1.718004 0.289753
C 0.713492 0.717624 -0.287336
C 0.710983 -1.717033 -0.296480
C -2.864122 -0.504067 0.280018
C 2.864666 -0.502927 -0.281879
C -3.760400 0.364226 -0.654591
C 3.760442 0.361172 0.657139
C -3.756808 -0.184468 -2.102064
C 3.756168 -0.194251 2.102033
C -5.178170 0.366589 -0.097217
C 5.178455 0.366313 0.100446
H -1.248230 1.612398 -0.077680
H -0.652225 0.783833 1.404765
H -1.257157 -2.606664 -0.075255
H -0.637303 -1.786329 1.404088
H 1.248620 1.612137 0.081657
H 0.652637 0.788248 -1.403395
H 0.637799 -1.781667 -1.411033
H 1.257594 -2.606890 0.065597
H -2.989141 -0.157457 1.336578
H -3.247077 -1.539719 0.235799
H 2.990368 -0.151711 -1.336819
H 3.247477 -1.538807 -0.241985
H -3.375204 1.405409 -0.659972
H 3.375051 1.402254 0.667154
H -2.712630 -0.313275 -2.433850
H -4.278430 0.497951 -2.796849
H -4.265228 -1.164397 -2.133623
H 4.264774 -1.174213 2.129330
H 4.277254 0.485034 2.800283
H 2.711807 -0.324765 2.432589
H -5.346001 2.520443 0.095268
H 5.345702 2.521008 -0.082975
H -7.274521 0.609063 0.736109
H 7.275342 0.612961 -0.730307


