%chk=000230342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230342

0 1
O 4.459031 -0.494505 0.421610
O -1.685099 -2.043031 -0.042614
N -5.484980 0.628448 0.207282
N -1.889959 -0.081552 1.101415
C -3.999887 0.683069 0.027174
C -6.155721 1.865495 -0.287677
C -6.059362 -0.625521 -0.384706
C -3.367030 -0.158773 1.159350
C -5.997650 2.173948 -1.779363
C -7.439058 -0.903183 0.213473
C 6.622851 0.345635 0.176339
C -1.143035 -1.063407 0.444943
C 0.332320 -0.834427 0.432274
C 7.542063 1.507373 -0.217954
C 5.154618 0.725703 0.004791
C 3.091640 -0.512355 0.385127
C 1.170820 -1.905295 0.804252
C 0.887763 0.379989 0.019043
C 2.548741 -1.752651 0.793079
C 2.273825 0.557478 -0.007350
C 9.012466 1.134582 -0.049057
H -3.658734 0.307908 -0.961486
H -3.651169 1.734143 0.100811
H -7.236992 1.776480 -0.035955
H -5.768969 2.715574 0.317588
H -5.376974 -1.471951 -0.139038
H -6.123531 -0.586210 -1.493753
H -3.719227 0.197756 2.151506
H -3.685451 -1.226087 1.066339
H -4.950866 2.333509 -2.057174
H -6.379394 1.356969 -2.403011
H -6.550970 3.078412 -2.053665
H -7.412624 -0.835940 1.309446
H -8.190228 -0.186991 -0.136235
H -7.784174 -1.907899 -0.051885
H -1.453281 0.729878 1.519152
H 6.808910 0.037813 1.225643
H 6.848292 -0.555238 -0.430627
H 7.351326 1.802330 -1.269127
H 7.311261 2.399829 0.397209
H 4.885530 0.941518 -1.042487
H 4.842789 1.549645 0.667527
H 0.722433 -2.859291 1.096035
H 0.240898 1.199355 -0.298295
H 3.218796 -2.560389 1.080060
H 2.690745 1.503410 -0.332771
H 9.287428 0.275664 -0.672800
H 9.667214 1.966962 -0.332273
H 9.247906 0.871922 0.989130


%chk=000230342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230342

0 1
O 4.491590 -0.679342 0.167607
O -1.839795 -1.858875 0.379559
N -5.529233 0.641153 0.091818
N -1.904533 0.313204 1.196927
C -4.062774 0.827325 0.007874
C -6.326841 1.750897 -0.484895
C -5.958222 -0.726958 -0.301098
C -3.372102 0.319621 1.302988
C -6.265174 1.915846 -2.029379
C -7.365525 -1.091579 0.207142
C 6.737781 0.208012 0.002682
C -1.223341 -0.788393 0.697027
C 0.270531 -0.667101 0.570306
C 7.650204 1.457213 -0.015622
C 5.261453 0.581294 0.146368
C 3.101429 -0.599141 0.300157
C 1.019449 -1.869115 0.442410
C 0.966925 0.566750 0.539491
C 2.415500 -1.841928 0.314418
C 2.371616 0.612789 0.406475
C 9.142747 1.091138 -0.162971
H -3.608638 0.294319 -0.859412
H -3.843474 1.904607 -0.123337
H -7.380250 1.618071 -0.175070
H -5.982137 2.688277 -0.006460
H -5.228545 -1.436981 0.129639
H -5.910610 -0.875888 -1.408784
H -3.680209 0.947403 2.157234
H -3.695004 -0.716188 1.502378
H -5.225898 2.067683 -2.375171
H -6.671678 1.030234 -2.550458
H -6.860259 2.793811 -2.343871
H -7.426434 -0.941549 1.299611
H -8.153108 -0.480205 -0.269798
H -7.587381 -2.151344 -0.016368
H -1.382179 1.128175 1.516796
H 7.023912 -0.455896 0.840686
H 6.874577 -0.372386 -0.929562
H 7.349852 2.123521 -0.850053
H 7.502396 2.037110 0.918220
H 4.923727 1.206308 -0.706930
H 5.082235 1.139683 1.089263
H 0.470367 -2.816049 0.440456
H 0.424940 1.519873 0.579960
H 2.999105 -2.762703 0.221446
H 2.877322 1.581926 0.375303
H 9.322161 0.531974 -1.100214
H 9.779193 1.994395 -0.180242
H 9.479631 0.455109 0.676752


