%chk=000193678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193678

0 1
O 0.337928 0.659956 1.189826
O -1.358068 0.026778 -2.226145
O 4.404472 2.127606 -0.624616
O 4.893699 1.270048 1.385523
O -3.567875 -0.659521 3.362085
O -3.489967 0.984596 1.853247
N -1.769305 1.446783 -0.482595
N 1.857698 1.275638 -0.392444
N -3.972098 -1.064356 -2.049711
C -0.468275 2.127893 -0.598497
C -0.501671 3.567361 -0.005999
C 0.577181 1.278134 0.165046
C -1.373542 4.470738 -0.880295
C -0.972981 3.579973 1.448601
C 2.919862 0.418490 0.164023
C -3.319531 -0.455781 -0.865736
C -2.051803 0.332365 -1.265222
C 3.309618 -0.729968 -0.789551
C -2.934573 -1.588041 0.111711
C 2.271776 -1.820347 -0.782177
C -2.300891 -1.120471 1.421944
C 4.159114 1.278943 0.431680
C 2.453006 -2.954674 0.024080
C 1.125604 -1.713384 -1.582603
C -3.154179 -0.143099 2.163061
C 1.499414 -3.976228 0.018009
C 0.177071 -2.739940 -1.586246
C 0.361467 -3.873366 -0.788941
H -0.199472 2.178733 -1.691814
H 0.551066 3.952929 -0.038117
H -2.316344 1.654716 0.370163
H -2.412022 4.117168 -0.921102
H -1.398225 5.494283 -0.487703
H -1.008157 4.522568 -1.911494
H -2.030125 3.296077 1.549583
H -0.397441 2.880845 2.071963
H -0.868177 4.576879 1.890787
H 2.569350 -0.008302 1.156145
H -4.063254 0.228640 -0.369744
H 2.071523 1.736251 -1.275463
H 3.457896 -0.344708 -1.821200
H 4.299286 -1.141041 -0.493621
H -3.849294 -2.186127 0.320936
H -2.230542 -2.291382 -0.386099
H -1.293260 -0.648836 1.243866
H -2.077893 -2.005643 2.062599
H -4.356805 -0.344428 -2.656649
H -3.295496 -1.588624 -2.605230
H 3.334062 -3.042994 0.656551
H 0.951604 -0.829614 -2.199602
H 1.644884 -4.855539 0.643436
H -0.706308 -2.643603 -2.218610
H -0.374411 -4.674274 -0.797750
H 5.201946 2.704802 -0.476956
H -4.123741 -0.023004 3.890366


%chk=000193678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193678

0 1
O 0.342954 0.409955 1.131840
O -1.402572 -0.020051 -2.228899
O 4.161308 2.514932 -0.603339
O 5.191286 1.171091 0.990341
O -4.105958 -0.549766 3.309639
O -3.557615 1.173423 1.877749
N -1.793606 1.432912 -0.448453
N 1.847062 1.206872 -0.456464
N -4.119099 -0.895438 -2.136440
C -0.468709 2.048860 -0.548275
C -0.435493 3.490458 0.057005
C 0.594197 1.135432 0.121142
C -1.345733 4.438053 -0.759369
C -0.790048 3.529154 1.563824
C 3.007515 0.479848 0.060123
C -3.481903 -0.325066 -0.933303
C -2.139278 0.380632 -1.266020
C 3.442866 -0.721052 -0.865079
C -3.245942 -1.476099 0.090414
C 2.477256 -1.894403 -0.817692
C -2.624520 -1.080372 1.465880
C 4.216909 1.394023 0.244837
C 2.764491 -3.014037 0.005632
C 1.279749 -1.895087 -1.577185
C -3.440233 -0.043970 2.196315
C 1.878811 -4.112813 0.067855
C 0.391373 -2.991438 -1.514298
C 0.688091 -4.105460 -0.695691
H -0.225297 2.115245 -1.627237
H 0.612808 3.839225 -0.053719
H -2.375021 1.601634 0.389123
H -2.401843 4.118544 -0.699601
H -1.279595 5.468879 -0.365917
H -1.058228 4.459246 -1.827211
H -1.848198 3.263778 1.743900
H -0.165731 2.832977 2.150332
H -0.634989 4.550228 1.957293
H 2.727949 0.076498 1.049335
H -4.176401 0.410620 -0.488041
H 1.995990 1.813713 -1.265497
H 3.542650 -0.330751 -1.896055
H 4.445964 -1.045982 -0.531793
H -4.222806 -1.971132 0.235677
H -2.566511 -2.219244 -0.369265
H -1.607017 -0.666172 1.323982
H -2.548374 -1.982899 2.092945
H -4.593482 -0.182485 -2.704317
H -3.419346 -1.386843 -2.711404
H 3.688555 -3.026020 0.597662
H 1.016012 -1.038558 -2.206940
H 2.118238 -4.972026 0.704740
H -0.528679 -2.964503 -2.108461
H 0.001910 -4.959263 -0.654195
H 4.988197 3.057014 -0.491170
H -4.626116 0.179584 3.747043


