%chk=000212731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212731

1 1
O 4.328946 1.467298 1.121908
N -1.229184 -0.961615 -0.032499
N 1.505916 -0.169488 -0.279517
N 2.761980 0.304746 0.156368
N 3.007850 1.224657 1.079951
N 4.084254 -1.189275 -1.345295
C -0.857296 0.275785 -0.785786
C -0.155054 -1.988377 -0.211010
C 0.415800 0.868298 -0.147146
C 1.137724 -1.450854 0.438961
C -2.569194 -1.498151 -0.444639
C -3.649448 -0.473360 -0.190959
C 3.993078 -0.124407 -0.460904
C 4.975656 0.634381 0.183870
C -3.859244 0.021287 1.104592
C -4.460504 -0.034516 -1.247192
C 6.422305 0.762612 0.108508
C -4.876618 0.949548 1.340342
C -5.479237 0.891525 -1.004191
C -5.687995 1.385234 0.287476
H -1.685172 1.021032 -0.677319
H -0.712892 0.113488 -1.875732
H 0.028709 -2.269012 -1.271160
H -0.455358 -2.920196 0.324580
H 0.718593 1.792564 -0.686668
H 0.206130 1.143905 0.914369
H 0.966043 -1.289925 1.530158
H 1.958611 -2.192388 0.326379
H -2.775743 -2.398323 0.185336
H -2.590150 -1.843811 -1.502245
H -3.227491 -0.320555 1.923951
H -4.312618 -0.417797 -2.254864
H 4.952756 -1.240685 -1.877299
H 3.259165 -1.367164 -1.920964
H 6.767865 1.104420 -0.887405
H 6.824113 1.495993 0.839321
H 6.939132 -0.195521 0.323839
H -5.042955 1.329730 2.348234
H -6.115643 1.225844 -1.823739
H -6.485632 2.104074 0.474488


%chk=000212731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212731

1 1
O 4.360702 1.536261 1.110904
N -1.195054 -0.907827 -0.196070
N 1.541723 -0.118870 -0.248202
N 2.798478 0.335251 0.172670
N 2.949954 1.375229 1.075221
N 4.045017 -1.145361 -1.278212
C -0.784743 0.342553 -0.869394
C -0.135559 -1.928213 -0.285771
C 0.459144 0.925708 -0.182893
C 1.139699 -1.423748 0.409007
C -2.534826 -1.406747 -0.618910
C -3.659624 -0.443232 -0.260937
C 4.008175 -0.152710 -0.345545
C 5.007084 0.615230 0.272738
C -3.748181 0.108721 1.043104
C -4.658266 -0.123763 -1.212767
C 6.488718 0.663602 0.171798
C -4.817519 0.964171 1.386679
C -5.733707 0.728098 -0.868831
C -5.815271 1.274751 0.431777
H -1.603189 1.077933 -0.784377
H -0.574512 0.187975 -1.957191
H 0.108756 -2.204158 -1.344396
H -0.467386 -2.846443 0.231444
H 0.816574 1.827761 -0.707873
H 0.223345 1.178359 0.868963
H 0.942491 -1.243741 1.484922
H 1.961566 -2.153019 0.300826
H -2.690388 -2.372186 -0.097719
H -2.565116 -1.622347 -1.714650
H -2.974984 -0.137373 1.780183
H -4.601665 -0.545858 -2.224070
H 4.931408 -1.521961 -1.606606
H 3.188182 -1.395534 -1.774707
H 6.815611 0.656231 -0.883926
H 6.871398 1.584143 0.641181
H 6.960501 -0.196776 0.681868
H -4.880433 1.381719 2.397660
H -6.502844 0.963718 -1.612163
H -6.648060 1.933458 0.700363


