%chk=000181121.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181121

0 1
O 0.185985 2.982122 -1.995603
O 3.804424 1.956742 -0.099408
O -5.410215 1.579086 0.402868
O -6.281078 -0.594198 0.020469
O 5.704686 -0.127937 0.303498
N -0.201623 1.304705 0.391488
C 1.128883 1.536350 -0.259712
C -0.719305 -0.034683 0.173327
C 2.093764 0.391023 -0.056596
C 0.135011 -1.121625 -0.035540
C 1.592024 -0.926275 0.050152
C -2.144530 -0.196808 0.123467
C 0.892359 1.758394 -1.775452
C 3.474196 0.627517 0.030244
C -2.671834 -1.495040 -0.131252
C -0.184376 1.659549 1.844755
C -0.420141 -2.398531 -0.321829
C 2.480160 -1.986685 0.258149
C -1.781158 -2.583324 -0.358910
C -3.030157 0.930378 0.305661
C 4.362855 -0.465530 0.230917
C -4.097432 -1.726061 -0.177243
C 3.858606 -1.760570 0.345366
C -4.362517 0.678541 0.254242
C -4.896655 -0.646531 0.018027
C -6.643399 0.806925 0.253461
C 5.200448 2.333988 0.009308
C 6.654536 -1.209068 0.465911
H 1.564121 2.486732 0.161590
H 0.333940 0.925907 -2.237710
H 1.851348 1.916957 -2.304501
H 0.598824 1.138339 2.417842
H -1.158127 1.422375 2.303208
H -0.024939 2.746316 1.938342
H 0.253003 -3.235848 -0.511732
H 2.104584 -3.004163 0.360214
H -2.199252 -3.567056 -0.569388
H -2.625388 1.930108 0.458502
H -4.486606 -2.722363 -0.363383
H 4.523617 -2.605748 0.504679
H -0.665480 2.965860 -1.501516
H -7.164943 1.171772 -0.641500
H -7.191309 0.857664 1.203602
H 5.590271 2.058209 0.994395
H 5.146031 3.421431 -0.118411
H 5.779229 1.860668 -0.791146
H 7.607944 -0.665344 0.475377
H 6.603042 -1.894119 -0.385228
H 6.487672 -1.723450 1.416597


%chk=000181121-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181121

0 1
O -0.103980 2.741075 -2.082663
O 3.958285 1.920646 -0.321712
O -5.397656 1.664388 0.419281
O -6.325839 -0.536932 0.244697
O 5.824319 -0.191111 0.047982
N -0.124736 1.273822 0.307872
C 1.179699 1.487699 -0.389545
C -0.688250 -0.042516 0.130590
C 2.155976 0.351129 -0.143141
C 0.164658 -1.159504 -0.059937
C 1.633659 -0.970457 -0.015091
C -2.121460 -0.196253 0.143766
C 0.903153 1.697479 -1.904953
C 3.546604 0.594543 -0.088083
C -2.688150 -1.526644 0.004911
C -0.160546 1.797970 1.701965
C -0.425563 -2.453574 -0.242423
C 2.545107 -2.036037 0.187941
C -1.804715 -2.636254 -0.195225
C -2.997114 0.944122 0.267996
C 4.452341 -0.498156 0.078047
C -4.116378 -1.718916 0.028454
C 3.934469 -1.805923 0.231455
C -4.357809 0.711004 0.282533
C -4.912227 -0.599748 0.172664
C -6.656750 0.910478 0.194057
C 4.949227 2.521207 0.596894
C 6.769266 -1.307581 0.139754
H 1.601129 2.434542 -0.010069
H 0.574476 0.744161 -2.370727
H 1.821400 2.046114 -2.404121
H 0.589456 1.301971 2.355334
H -1.157280 1.628102 2.139965
H 0.039031 2.883792 1.691977
H 0.222120 -3.317338 -0.424442
H 2.178229 -3.056160 0.335137
H -2.233560 -3.636176 -0.326353
H -2.588358 1.954868 0.323455
H -4.543616 -2.720001 -0.073368
H 4.611293 -2.652792 0.377648
H -0.785681 2.560048 -1.375727
H -7.048717 1.155488 -0.810819
H -7.364518 1.144474 1.003730
H 4.595827 2.455871 1.644264
H 5.012398 3.575738 0.287658
H 5.926960 2.024104 0.499469
H 7.764689 -0.846679 0.059024
H 6.621172 -2.025053 -0.689987
H 6.679061 -1.834328 1.109463


