%chk=000224719.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224719

0 1
O -4.932067 0.398612 -0.350978
O -3.921991 -0.251097 -2.274399
O -2.687342 -3.563541 0.597317
O 3.503710 3.142432 1.506052
O 1.375067 2.799256 1.572404
O 5.781624 -1.623454 -1.659076
O 6.519670 0.156885 -0.673459
N -3.634289 -1.533178 1.012376
N -0.715461 -0.103408 0.069047
N 0.308451 0.732021 0.458683
N 2.520729 2.481584 1.233654
N 5.625012 -0.597723 -1.017903
C -2.944423 -0.894927 -0.114189
C -1.952904 0.159932 0.385561
C -3.950001 -0.236095 -1.072887
C 1.601372 0.400691 0.093515
C -2.477427 1.314503 1.167451
C 2.690629 1.254775 0.472107
C 1.893461 -0.784461 -0.658034
C -3.434496 -2.902925 1.290418
C 4.010007 0.911280 0.097744
C 4.252414 -0.243226 -0.630043
C 3.178457 -1.101005 -1.011385
C -5.997196 1.085749 -1.091625
C -4.206126 -3.414034 2.468706
C -5.484977 2.407262 -1.619081
H -2.390216 -1.700803 -0.709305
H -4.272101 -0.949787 1.546782
H -2.043730 2.275707 0.850287
H -3.572265 1.431314 1.062828
H -2.272109 1.199840 2.243734
H 0.130073 1.602466 1.018616
H 1.060880 -1.440494 -0.945012
H 4.845489 1.573576 0.391827
H 3.408316 -2.008711 -1.587049
H -6.760770 1.192535 -0.299793
H -6.351134 0.413304 -1.893851
H -5.292671 -3.318884 2.335898
H -3.995845 -4.488682 2.614816
H -3.933522 -2.907475 3.404580
H -5.026509 3.015803 -0.830199
H -4.724356 2.258362 -2.401721
H -6.294232 2.999520 -2.066116


%chk=000224719-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224719

0 1
O -5.001298 0.179084 -0.724106
O -3.287593 -0.008724 -2.302308
O -2.312812 -2.818329 1.989712
O 3.541624 2.785844 1.957835
O 1.324468 2.280701 2.075290
O 5.757278 -1.110541 -2.435995
O 6.533734 0.520782 -1.036209
N -3.940852 -1.559018 0.925234
N -0.708262 -0.344395 0.028056
N 0.319707 0.444049 0.528487
N 2.526311 2.098605 1.567912
N 5.587362 -0.218982 -1.513351
C -3.002838 -1.041772 -0.076800
C -1.907981 -0.148087 0.530927
C -3.748272 -0.252844 -1.170936
C 1.597909 0.287454 0.039216
C -2.272850 0.855099 1.601898
C 2.699544 1.083722 0.530002
C 1.876702 -0.677898 -0.983353
C -3.524027 -2.453438 1.901025
C 4.005431 0.914699 0.019016
C 4.225292 -0.041164 -0.978041
C 3.163692 -0.843597 -1.485761
C -5.815533 0.995885 -1.689629
C -4.612058 -2.956960 2.842618
C -5.428039 2.472934 -1.605646
H -2.472669 -1.870157 -0.581515
H -4.911510 -1.245631 0.864326
H -1.908860 1.871657 1.354864
H -3.364104 0.903763 1.737030
H -1.828096 0.569572 2.575477
H 0.211800 1.155046 1.279426
H 1.040046 -1.276082 -1.348040
H 4.825963 1.526159 0.402578
H 3.381488 -1.579140 -2.264324
H -6.852532 0.814305 -1.366376
H -5.652330 0.589147 -2.702575
H -4.665538 -4.057021 2.772446
H -4.334644 -2.711511 3.882193
H -5.610087 -2.537518 2.628781
H -5.536093 2.854983 -0.575982
H -4.389841 2.628467 -1.942923
H -6.092431 3.064354 -2.262179


