%chk=000229642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229642

0 1
O 1.433901 -3.365991 1.127586
O 1.929391 1.479417 -0.789447
O -2.706219 1.831676 0.639503
O -1.282465 -2.816658 0.981724
O 1.929090 -2.523498 -0.910710
O 0.465983 3.171907 -1.130722
O -3.728854 1.917800 -1.374278
N -0.849388 -0.642080 0.511871
C 0.055166 0.521887 0.425886
C -2.206933 -0.469822 -0.069027
C -0.479044 -1.898964 0.995459
C 0.946934 -2.060889 1.566102
C 0.866258 0.488612 -0.878790
C -3.089526 0.435574 0.794646
C 0.904623 -2.165678 3.077154
C 1.880143 -3.482457 -0.173666
C 1.607545 2.805177 -0.963385
C -3.077888 2.482563 -0.528106
C 2.257331 -4.895717 -0.428727
C 2.851395 3.618432 -0.900009
C -2.543401 3.864951 -0.497987
H -0.550909 1.466511 0.473267
H 0.736874 0.561272 1.303227
H -2.128786 -0.055894 -1.101705
H -2.690215 -1.477112 -0.166588
H 1.664400 -1.293074 1.198936
H 1.445226 -0.451573 -1.021245
H 0.248559 0.691479 -1.769416
H -4.156529 0.327726 0.525256
H -2.943133 0.285702 1.879924
H 0.255608 -2.999898 3.394662
H 1.902066 -2.370450 3.488998
H 0.521070 -1.248660 3.539413
H 1.540324 -5.365052 -1.124933
H 2.258267 -5.504555 0.491214
H 3.254319 -4.964117 -0.890853
H 3.016438 4.151304 -1.851031
H 3.746819 3.005402 -0.704091
H 2.784145 4.382035 -0.109337
H -1.513387 3.887292 -0.918481
H -2.469666 4.271145 0.521265
H -3.156832 4.544674 -1.107060


%chk=000229642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229642

0 1
O 1.460767 -3.493011 1.259412
O 2.068249 1.570899 -0.823191
O -2.693056 1.795129 0.687932
O -1.235989 -2.898018 0.842011
O 1.816295 -2.756106 -0.919442
O 0.463152 3.199642 -1.274229
O -3.881463 2.111979 -1.296837
N -0.738745 -0.652596 0.450072
C 0.203833 0.488852 0.421604
C -2.062753 -0.466380 -0.193322
C -0.420543 -1.927441 0.909297
C 0.955539 -2.131091 1.599180
C 1.016305 0.512772 -0.894818
C -3.062152 0.348481 0.641283
C 0.811418 -2.113056 3.124430
C 1.823359 -3.685340 -0.076647
C 1.656754 2.885539 -1.049588
C -3.159387 2.581060 -0.389225
C 2.187099 -5.126685 -0.333670
C 2.827431 3.841242 -0.999893
C -2.637969 3.992110 -0.283150
H -0.381219 1.416436 0.520043
H 0.893940 0.447275 1.280484
H -1.938756 0.009479 -1.183204
H -2.482406 -1.476004 -0.346124
H 1.709416 -1.408756 1.245487
H 1.569235 -0.426250 -1.047778
H 0.359484 0.720236 -1.758082
H -4.069850 0.256678 0.198959
H -3.066843 0.028456 1.694483
H 0.072628 -2.869306 3.437267
H 1.779414 -2.337059 3.603327
H 0.467965 -1.120852 3.468545
H 1.258321 -5.706663 -0.484769
H 2.713723 -5.560459 0.531024
H 2.803159 -5.202222 -1.241784
H 2.967682 4.295103 -1.996951
H 3.751524 3.326534 -0.701180
H 2.605917 4.661537 -0.296105
H -1.611359 4.020807 -0.694620
H -2.595114 4.319467 0.767871
H -3.276303 4.667979 -0.871603


