%chk=000206218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206218

0 1
O 1.023371 0.669224 -0.469005
O 3.022322 -2.827976 0.496269
O -3.939364 -2.142071 0.453740
O -3.757473 -1.041832 -1.400634
N -2.442669 1.370718 0.412626
N -3.295623 -1.575560 -0.407443
C -3.572097 2.299208 0.073782
C -1.562019 2.141688 1.352894
C -3.072256 3.748657 0.254581
C -1.786691 3.648512 1.096824
C -1.700232 0.910745 -0.804895
C -1.069557 -0.414481 -0.458080
C 0.334325 -0.525217 -0.280527
C -1.806904 -1.581764 -0.255511
C 0.964916 -1.727405 0.053003
C -1.206621 -2.805864 0.100659
C 0.172214 -2.875548 0.246014
C 2.445225 -1.800151 0.212491
C 3.130245 -0.509266 -0.008764
C 2.408843 0.646732 -0.334319
C 4.531870 -0.401833 0.101467
C 3.021645 1.892542 -0.551918
C 5.161018 0.820321 -0.109378
C 4.406330 1.962584 -0.435146
H -4.388092 2.069110 0.794303
H -3.979750 2.113229 -0.936233
H -0.498861 1.853628 1.255405
H -1.882362 1.863422 2.380240
H -3.833571 4.370586 0.752748
H -2.871452 4.224447 -0.719247
H -0.930208 4.093946 0.565496
H -1.884467 4.199671 2.046176
H -0.932700 1.633254 -1.163563
H -2.413136 0.770131 -1.655670
H -1.830727 -3.687370 0.273551
H 0.666414 -3.816106 0.516813
H 5.105856 -1.299547 0.355537
H 2.418502 2.762057 -0.804041
H 6.244200 0.898712 -0.023258
H 4.914835 2.915267 -0.598387


%chk=000206218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206218

0 1
O 1.128779 0.720448 -0.561516
O 3.084233 -2.837412 0.521194
O -3.937038 -2.061968 0.592389
O -3.747030 -0.992788 -1.414067
N -2.666093 1.332744 0.327607
N -3.249930 -1.482640 -0.329137
C -3.686286 2.350546 -0.057154
C -2.018378 1.933264 1.533275
C -3.021370 3.750108 0.177247
C -1.929124 3.477685 1.266418
C -1.699635 1.003330 -0.762734
C -1.022181 -0.321060 -0.446282
C 0.385015 -0.447747 -0.314352
C -1.768400 -1.488218 -0.177876
C 1.018272 -1.666710 0.060434
C -1.186685 -2.717838 0.214124
C 0.207386 -2.800202 0.322659
C 2.497884 -1.756982 0.193591
C 3.230859 -0.497150 -0.078959
C 2.530490 0.684547 -0.440830
C 4.647582 -0.437339 0.017920
C 3.203092 1.897131 -0.703298
C 5.332723 0.760742 -0.238307
C 4.605913 1.929211 -0.599729
H -4.556177 2.230016 0.615630
H -4.032728 2.185469 -1.090471
H -1.038205 1.465457 1.725933
H -2.666890 1.735450 2.406709
H -3.761685 4.499957 0.506320
H -2.561528 4.125797 -0.754516
H -0.925969 3.759104 0.899445
H -2.113267 4.051176 2.191512
H -0.926861 1.782266 -0.924588
H -2.279166 0.892400 -1.695001
H -1.831643 -3.574440 0.425452
H 0.709563 -3.727610 0.614161
H 5.172360 -1.356519 0.298249
H 2.624170 2.782512 -0.981016
H 6.423784 0.799348 -0.161492
H 5.139462 2.864316 -0.800344


