%chk=000279810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279810

0 1
O 0.003686 2.517981 -0.728712
O 0.004827 1.597476 1.388998
N -0.001098 0.287585 -0.524992
C -0.002684 -0.986245 0.205502
C -1.204037 -1.876047 -0.162042
C 1.197532 -1.878350 -0.160307
C -0.739626 -3.082027 -0.576264
C 0.731423 -3.083440 -0.575200
C -2.583201 -1.425520 -0.014865
C 2.577336 -1.430480 -0.011030
C 0.008207 3.937198 -0.246882
C 0.002743 1.489394 0.172840
C 1.280681 4.162581 0.554425
C 0.007762 4.661348 -1.589947
C -1.260363 4.169105 0.558736
C -3.601931 -2.009294 -0.791064
C 3.596122 -2.016351 -0.785578
C -2.914521 -0.408919 0.900313
C 2.909236 -0.414438 0.904558
C -4.925631 -1.587827 -0.647696
C 4.920432 -1.597505 -0.640177
C -4.240490 0.005382 1.039630
C 4.235808 -0.002774 1.045918
C -5.248768 -0.582032 0.268335
C 5.244130 -0.592272 0.276273
H -0.003210 -0.799788 1.318948
H -1.315193 -3.944958 -0.864006
H 1.305745 -3.947471 -0.862116
H -0.002225 0.266189 -1.540385
H 2.172009 3.858171 -0.006892
H 1.401684 5.213931 0.833419
H 1.272942 3.572334 1.486088
H -0.873440 4.393556 -2.187392
H 0.886933 4.391275 -2.189321
H 0.009304 5.747549 -1.454586
H -1.252820 3.578185 1.489977
H -1.374582 5.220909 0.838876
H -2.155203 3.870060 0.000145
H -3.358045 -2.788166 -1.511200
H 3.351818 -2.794802 -1.506025
H -2.137022 0.062751 1.505490
H 2.131718 0.058943 1.508472
H -5.707664 -2.044454 -1.252058
H 5.702499 -2.055743 -1.243270
H -4.488638 0.790064 1.753082
H 4.484383 0.781481 1.759691
H -6.280917 -0.256576 0.380175
H 6.276748 -0.268869 0.389713


%chk=000279810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279810

0 1
O 0.004268 2.555716 -0.721771
O 0.002023 1.559618 1.437997
N 0.000808 0.303264 -0.534492
C -0.001389 -1.003858 0.126850
C -1.217742 -1.885053 -0.219284
C 1.212847 -1.888476 -0.217928
C -0.735273 -3.108205 -0.648868
C 0.727422 -3.110266 -0.648043
C -2.611394 -1.457880 -0.057014
C 2.607510 -1.465231 -0.054055
C 0.006275 3.990403 -0.204004
C 0.002039 1.485989 0.173041
C 1.289817 4.234204 0.614601
C 0.008298 4.795703 -1.514432
C -1.277425 4.238223 0.613143
C -3.673361 -2.165123 -0.698125
C 3.668231 -2.175487 -0.693895
C -2.949976 -0.329614 0.749067
C 2.948306 -0.337883 0.752380
C -5.014711 -1.772448 -0.529234
C 5.010483 -1.786592 -0.523415
C -4.294665 0.062377 0.914020
C 4.293900 0.050311 0.918933
C -5.335389 -0.654181 0.279040
C 5.333349 -0.669213 0.285216
H -0.001693 -0.792052 1.217536
H -1.343843 -3.976774 -0.912497
H 1.333845 -3.980544 -0.910985
H 0.001306 0.347729 -1.554167
H 2.181979 3.975540 0.016998
H 1.354500 5.303789 0.886208
H 1.288093 3.633731 1.537861
H -0.887074 4.561348 -2.115351
H 0.903690 4.558664 -2.114269
H 0.009790 5.877461 -1.290817
H -1.278815 3.637352 1.536147
H -1.338798 5.307902 0.885140
H -2.169733 3.982834 0.014350
H -3.438979 -3.017503 -1.346010
H 3.432214 -3.027221 -1.342036
H -2.162597 0.228557 1.267415
H 2.161877 0.222530 1.269748
H -5.812209 -2.331185 -1.032230
H 5.807003 -2.347584 -1.025449
H -4.530871 0.926548 1.545131
H 4.531796 0.913844 1.550280
H -6.379013 -0.347092 0.408728
H 6.377681 -0.365072 0.416139


