%chk=000209355.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209355

0 1
O -3.585976 -0.063449 0.408547
O -1.844123 -2.403943 0.587918
O 4.162895 -0.121247 -0.821116
O 2.677421 1.119853 1.041401
O -3.985189 1.316886 -1.365467
O 4.674305 -1.742728 0.675046
N -7.467401 -0.484000 1.448919
N 7.849524 1.561482 -0.868114
C 0.583277 0.248277 0.305531
C -1.418410 -1.110245 0.441031
C -0.012772 -1.004910 0.441829
C -2.193421 0.064273 0.310335
C -0.193749 1.408973 0.179815
C 2.079036 0.378686 0.305249
C -1.585673 1.316665 0.176025
C 2.770029 -0.491300 -0.742130
C -4.418884 0.627028 -0.481327
C -5.820469 0.332591 -0.127251
C 6.385901 -0.202027 -0.085619
C 5.040736 -0.795611 0.019896
C -3.270468 -2.666649 0.590004
C -6.831472 0.620654 -1.060357
C 7.469163 -0.852836 0.528251
C -6.180614 -0.213232 1.123754
C 6.615054 1.010976 -0.771231
C -8.157594 0.345809 -0.726011
C 8.740565 -0.286059 0.432304
C -8.436991 -0.208828 0.534998
C 8.891690 0.919096 -0.274588
H 0.575516 -1.915565 0.564940
H 0.289411 2.383732 0.094286
H -2.202538 2.210386 0.059706
H 2.400398 -0.283982 -1.765253
H 2.667004 -1.571732 -0.511929
H -3.704032 -2.395110 -0.376038
H -3.752313 -2.127002 1.412075
H -3.293164 -3.751783 0.753090
H -6.571886 1.055557 -2.030871
H 7.305689 -1.788259 1.072438
H -5.418034 -0.434963 1.885986
H 5.786475 1.553743 -1.252245
H -8.963735 0.558118 -1.426765
H 9.599714 -0.765098 0.897563
H -9.465062 -0.445194 0.841564
H 9.872370 1.401666 -0.377985


%chk=000209355-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209355

0 1
O -3.615680 -0.203024 0.372371
O -1.906570 -2.576058 -0.272267
O 4.319035 -0.681672 -0.709794
O 2.672023 1.346323 0.057643
O -4.126071 1.480463 -1.193709
O 4.688894 -0.814367 1.591991
N -7.555278 -0.683235 1.525800
N 8.120558 0.751865 -1.510322
C 0.608413 0.096701 -0.027535
C -1.448402 -1.272538 -0.085672
C -0.039691 -1.149189 -0.185806
C -2.203381 -0.095270 0.183344
C -0.167022 1.257180 0.246621
C 2.094999 0.242608 -0.131091
C -1.560231 1.153236 0.351200
C 2.913715 -1.019795 -0.476067
C -4.500836 0.658626 -0.333690
C -5.908457 0.419577 0.086383
C 6.475013 -0.050138 0.116668
C 5.105600 -0.532480 0.444051
C -3.332024 -2.941073 -0.196840
C -6.942269 1.109293 -0.599537
C 7.424056 0.065847 1.163854
C -6.265545 -0.459564 1.144108
C 6.868004 0.309045 -1.200100
C -8.278275 0.887480 -0.213232
C 8.720160 0.525279 0.857007
C -8.536988 -0.015699 0.846162
C 9.022753 0.851445 -0.486827
H 0.509663 -2.073533 -0.387794
H 0.344616 2.215078 0.374167
H -2.168808 2.037639 0.557474
H 2.564589 -1.474522 -1.417199
H 2.830389 -1.749970 0.352205
H -3.920526 -2.427887 -0.976602
H -3.751163 -2.716626 0.797860
H -3.337376 -4.026737 -0.375733
H -6.679598 1.795608 -1.411108
H 7.128226 -0.200507 2.183723
H -5.493377 -0.991067 1.707746
H 6.153936 0.243126 -2.025575
H -9.104924 1.397445 -0.716323
H 9.482472 0.630754 1.634707
H -9.562766 -0.219657 1.173056
H 10.020347 1.208691 -0.767114


