%chk=000197628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197628

0 1
O -0.427898 1.520794 0.843429
O -2.803648 -0.783335 -0.409131
O -0.116844 -2.271031 -0.695580
O -2.687213 1.526619 0.452431
O 3.445096 -0.494149 -0.822482
N 1.574656 -0.349412 0.492802
C 0.719039 0.045292 -0.652309
C -0.503807 -0.904457 -0.740765
C 0.195715 1.494415 -0.467873
C -1.579077 -0.653015 0.349531
C -1.628451 0.768749 0.985962
C 1.285849 2.546029 -0.397185
C 2.971972 -0.468351 0.297208
C -3.934078 -1.273615 0.344309
C 3.767843 -0.637500 1.558530
H 1.317457 -0.046026 -1.603534
H -0.992196 -0.827316 -1.748686
H -0.568050 1.745105 -1.235496
H -1.512223 -1.434836 1.133669
H -1.779730 0.788069 2.087936
H 1.218770 -0.027661 1.397911
H 1.989973 2.459636 -1.234256
H 0.855630 3.557345 -0.413847
H 1.861058 2.472450 0.535343
H 0.601399 -2.423241 -0.038910
H -2.961355 1.211043 -0.449737
H -3.719355 -2.265897 0.750651
H -4.717121 -1.332753 -0.422865
H -4.206353 -0.559424 1.127571
H 3.379705 -1.436904 2.203505
H 4.810778 -0.900963 1.312219
H 3.804157 0.285740 2.152051


%chk=000197628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197628

0 1
O -0.505380 2.021324 0.732047
O -2.921502 -0.725705 0.267677
O -0.315768 -1.954580 -0.754194
O -2.640993 1.818499 -0.271560
O 2.396121 -1.888691 -0.317212
N 1.503430 0.051920 0.575309
C 0.663893 0.353356 -0.607833
C -0.615346 -0.526531 -0.690038
C 0.238032 1.839925 -0.549446
C -1.553363 -0.246097 0.509336
C -1.755870 1.281387 0.753892
C 1.376043 2.857743 -0.549099
C 2.369012 -1.013795 0.619307
C -3.120249 -2.179394 0.404218
C 3.298059 -1.101052 1.818314
H 1.273790 0.151921 -1.510129
H -1.149958 -0.235096 -1.619367
H -0.462354 2.043442 -1.381397
H -1.128143 -0.725652 1.415247
H -2.165038 1.468781 1.763386
H 1.407586 0.686800 1.372741
H 1.960796 2.779415 -1.483221
H 0.959385 3.876130 -0.480524
H 2.063374 2.710732 0.302256
H 0.682360 -2.090343 -0.810546
H -3.288709 1.087650 -0.479888
H -2.490865 -2.730307 -0.313789
H -4.191463 -2.347282 0.209771
H -2.872407 -2.504758 1.434702
H 3.116281 -0.315319 2.571067
H 3.188599 -2.090811 2.292680
H 4.342345 -1.022211 1.468694


