%chk=000188570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188570

0 1
O 2.638327 2.355283 0.504666
O 1.042833 -1.124425 -2.205048
O -0.688389 -1.636275 2.376492
N 1.736365 -0.241931 -0.225994
N -0.575263 -2.445668 0.234028
C -1.617358 -0.337111 -0.513346
C -2.947549 -0.595481 0.137125
C -1.551748 0.965528 -1.266912
C -3.263959 0.558449 1.104694
C -1.899395 2.140112 -0.338961
C -3.231685 1.914835 0.388090
C -0.555932 -1.163178 -0.417383
C 2.961959 0.330458 -0.844377
C 1.464662 0.287990 1.132200
C 0.775660 -0.835769 -1.046388
C 2.877455 1.865468 -0.831000
C 1.444442 1.823561 1.113632
C -0.625109 -2.592912 1.621208
H -3.734286 -0.674585 -0.640973
H -2.967956 -1.556412 0.686301
H -0.564389 1.135944 -1.740453
H -2.270276 0.923241 -2.114209
H -4.253267 0.395909 1.570390
H -2.527397 0.545626 1.935456
H -1.076056 2.276252 0.399329
H -1.942012 3.077823 -0.924478
H -4.066752 1.974855 -0.336575
H -3.402771 2.728620 1.118149
H 3.076913 -0.055333 -1.885091
H 3.843543 -0.017257 -0.261216
H 2.271108 -0.077657 1.809356
H 0.504152 -0.113573 1.545234
H 3.843112 2.339865 -1.082199
H 2.084784 2.242674 -1.499585
H 0.553059 2.218602 0.582203
H 1.494530 2.251738 2.131453
H -0.456534 -3.243261 -0.389059
H -0.614920 -3.641406 1.961843


%chk=000188570-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188570

0 1
O 3.274856 2.126443 0.663016
O 0.892685 -0.922918 -2.356407
O -0.996200 -1.389672 2.511837
N 1.733961 -0.079506 -0.351105
N -0.461626 -2.240930 0.380820
C -1.709686 -0.308627 -0.531477
C -3.037557 -0.699843 0.089200
C -1.746775 1.019675 -1.268656
C -3.533475 0.417077 1.052939
C -2.242874 2.149294 -0.317661
C -3.598625 1.784625 0.332229
C -0.556183 -1.024622 -0.396459
C 3.036626 0.261493 -0.966080
C 1.612872 0.315212 1.069920
C 0.734045 -0.664276 -1.116795
C 3.325649 1.761699 -0.764357
C 1.948073 1.814116 1.220020
C -0.666848 -2.340662 1.748593
H -3.779758 -0.814281 -0.729719
H -2.976637 -1.663584 0.619663
H -0.764386 1.276200 -1.701639
H -2.459240 0.934670 -2.115058
H -4.529999 0.145556 1.450283
H -2.838837 0.467378 1.912590
H -1.486961 2.311438 0.477939
H -2.327409 3.096768 -0.883949
H -4.379878 1.747318 -0.455729
H -3.901523 2.575457 1.045296
H 2.984943 0.001412 -2.036944
H 3.833723 -0.337830 -0.482876
H 2.329375 -0.279128 1.671856
H 0.594770 0.111801 1.442813
H 4.345356 2.016095 -1.096325
H 2.587932 2.367284 -1.334291
H 1.171818 2.425640 0.708340
H 1.998898 2.099002 2.283385
H -0.124730 -3.079478 -0.103533
H -0.506471 -3.379695 2.116926


