%chk=000179811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179811

0 1
O -1.083817 -0.906599 -0.753757
O -1.114401 0.457243 -3.315438
O 3.561334 0.784236 0.775023
O 1.504890 1.701793 0.553414
N -2.170530 2.440046 -0.393573
C -1.923039 0.791920 -2.179690
C -1.169744 1.812591 -1.299576
C -1.680196 2.576915 1.022945
C -2.313421 -0.488299 -1.423280
C -0.010668 -2.360426 0.723102
C -0.993125 -2.200577 -0.289484
C 0.710389 -1.155742 1.250944
C -2.373031 3.775766 1.686123
C -1.999099 1.273234 1.767618
C 1.828840 -0.715531 0.296082
C 0.226631 -3.646870 1.206672
C -1.735083 -3.280154 -0.775852
C -0.501765 -4.741562 0.718876
C -1.477952 -4.555735 -0.260773
C 2.208775 0.716371 0.546181
C 4.166221 2.098089 0.996177
C 4.336358 2.814303 -0.327110
H -2.828135 1.244605 -2.650970
H -0.654608 2.543538 -1.957488
H -0.361817 1.298419 -0.723202
H -0.566010 2.739513 1.053561
H -2.451200 3.350494 -0.768197
H -2.663674 -1.275891 -2.109690
H -3.055961 -0.281037 -0.630912
H -0.035906 -0.318282 1.364485
H 1.119926 -1.342835 2.261998
H -2.090357 3.853270 2.741678
H -2.103586 4.721984 1.207024
H -3.465058 3.679368 1.649878
H -1.763190 1.352913 2.831547
H -1.413813 0.434319 1.346918
H -3.057837 1.008246 1.671840
H 2.708934 -1.386929 0.384356
H 1.479883 -0.804853 -0.759344
H 0.981138 -3.804068 1.977459
H -0.314417 -0.033829 -3.032228
H -2.489485 -3.138212 -1.544910
H -0.304558 -5.736623 1.110648
H -2.046316 -5.407705 -0.633293
H 5.125443 1.809258 1.463318
H 3.534467 2.660072 1.706576
H 4.923150 3.733460 -0.213547
H 3.362763 3.095337 -0.755655
H 4.845560 2.181857 -1.065774


%chk=000179811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179811

0 1
O -0.685032 -0.629540 -0.503276
O 0.047039 1.397844 -2.420343
O 4.152248 0.341847 0.345217
O 2.310559 1.312597 -0.687023
N -2.861349 2.320785 -0.189705
C -1.283952 1.297257 -1.833975
C -1.446074 2.241455 -0.615532
C -3.114254 2.766365 1.209722
C -1.668215 -0.151879 -1.494398
C 0.334386 -2.346097 0.788459
C -0.758229 -1.949628 -0.042020
C 1.446723 -1.348390 1.052090
C -4.590055 3.198413 1.330179
C -2.792945 1.629677 2.205497
C 2.317678 -1.108132 -0.236232
C 0.333924 -3.655499 1.313223
C -1.808743 -2.846169 -0.344936
C -0.714384 -4.563533 1.024322
C -1.779486 -4.154008 0.193693
C 2.898136 0.286750 -0.245073
C 4.814802 1.686723 0.415532
C 5.580972 1.976840 -0.877260
H -1.971654 1.629889 -2.637130
H -1.008195 3.227662 -0.893551
H -0.843732 1.841134 0.219208
H -2.474241 3.647317 1.470081
H -3.415497 2.878319 -0.855073
H -1.611420 -0.788452 -2.398739
H -2.686784 -0.168032 -1.059525
H 0.998154 -0.383972 1.354917
H 2.097094 -1.692629 1.875146
H -4.824936 3.505035 2.364719
H -4.816469 4.052902 0.663177
H -5.254070 2.357700 1.055935
H -2.924839 1.976794 3.247316
H -1.753333 1.271993 2.096214
H -3.465327 0.771419 2.025720
H 3.120257 -1.860898 -0.293901
H 1.668145 -1.193520 -1.121219
H 1.166561 -3.968137 1.955402
H 0.756203 1.297627 -1.718213
H -2.641147 -2.536000 -0.983015
H -0.696778 -5.575549 1.442102
H -2.594232 -4.849031 -0.038727
H 5.484009 1.595455 1.285692
H 4.038922 2.448943 0.604036
H 6.132128 2.930086 -0.775520
H 4.889140 2.070015 -1.730873
H 6.311195 1.177654 -1.091641


