%chk=000104333.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104333

1 1
O 0.120356 0.925933 2.370348
O 2.188570 0.167628 1.370642
N -2.367045 0.455994 -0.218063
N 0.276006 0.192587 0.189678
N 3.533675 -0.998490 -1.053081
N 4.602457 -1.301809 -1.185969
C -3.204325 -0.784564 -0.041531
C -1.927758 1.076434 1.054218
C -3.396313 -1.394498 -1.432333
C -4.551794 -0.503935 0.626622
C -0.472634 0.758124 1.347595
C 1.602173 -0.109622 0.196704
C 2.257556 -0.653738 -0.942343
H -2.615833 -1.495019 0.597393
H -2.868153 1.147739 -0.792058
H -2.026528 2.192967 1.027878
H -2.525302 0.756027 1.950207
H -3.906413 -2.366022 -1.362859
H -4.015911 -0.766919 -2.086327
H -2.445355 -1.564096 -1.947921
H -4.450352 -0.097259 1.638480
H -5.144174 -1.426267 0.722188
H -5.172272 0.194098 0.050561
H -0.291985 0.002543 -0.673898
H 1.636232 -0.812838 -1.854239
H 3.173720 -0.022697 1.425307


%chk=000104333-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104333

1 1
O 0.233515 1.548341 2.375880
O 2.361301 0.020834 1.344720
N -2.222558 0.348280 -0.071910
N 0.273053 0.271350 0.323751
N 3.303637 -0.998599 -1.191893
N 4.400011 -1.387593 -1.363048
C -3.189607 -0.851111 -0.013173
C -1.855504 0.993942 1.255997
C -3.178114 -1.549535 -1.383906
C -4.590453 -0.378945 0.409843
C -0.310560 0.970047 1.409474
C 1.557723 -0.072399 0.234118
C 2.051852 -0.564037 -1.030807
H -2.761396 -1.521570 0.755287
H -2.606488 1.050037 -0.729635
H -2.218893 2.031520 1.315677
H -2.303940 0.424512 2.086541
H -3.829062 -2.438842 -1.346414
H -3.569650 -0.890644 -2.181257
H -2.166288 -1.891304 -1.667373
H -4.588477 0.147429 1.380308
H -5.253017 -1.254431 0.514510
H -5.039515 0.285070 -0.352254
H -1.221618 0.052963 -0.401459
H 1.409371 -0.585799 -1.910706
H 3.323275 -0.187214 1.214929


