%chk=000277654.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277654

0 1
O -0.281159 1.548415 0.811823
O 2.652921 0.558442 0.175525
O 0.686376 1.520875 2.920121
O -2.516678 -0.085490 -1.019503
O 0.795985 -3.264624 -0.231886
O 4.325968 -0.344066 1.402528
O -3.095976 1.980645 -1.740521
N 0.371000 -1.849740 1.488079
C 0.637878 -0.686511 0.622450
C 1.703726 0.262717 1.229938
C -0.637269 0.187036 0.429469
C 0.959905 1.584842 1.515424
C -1.107635 0.283466 -1.023157
C 0.012573 -1.609110 2.902789
C 0.503892 -3.142316 0.948454
C 3.980175 0.180462 0.371216
C -0.104131 2.620294 3.422915
C 0.266457 -4.303319 1.866860
C -3.441076 0.877369 -1.386255
C 4.784084 0.531661 -0.818527
C -4.813686 0.327914 -1.283604
C 6.155085 0.222743 -0.800678
C 4.210859 1.150727 -1.939861
C 6.947782 0.537051 -1.905774
C 5.011554 1.461826 -3.041283
C -5.892375 1.205495 -1.481939
C -5.044062 -1.027385 -1.004628
C 6.376693 1.155513 -3.024198
C -7.199869 0.723197 -1.396537
C -6.355204 -1.502447 -0.922379
C -7.430568 -0.628746 -1.117332
H 1.018653 -1.067812 -0.373634
H 2.230681 -0.146468 2.124217
H -1.476184 -0.112072 1.096995
H 1.449556 2.529080 1.225941
H -0.970798 1.309470 -1.428656
H -0.648906 -0.465671 -1.693438
H 0.767325 -2.041241 3.581504
H -0.971292 -2.045715 3.139309
H -0.041902 -0.521522 3.125297
H 0.478968 3.544490 3.380802
H -1.033832 2.707770 2.848743
H -0.301366 2.323562 4.458772
H -0.748513 -4.308182 2.284614
H 0.395282 -5.247348 1.310461
H 0.977846 -4.322788 2.703882
H 6.588918 -0.262250 0.078147
H 3.142621 1.384027 -1.943892
H -5.698193 2.258560 -1.703511
H -4.195783 -1.701127 -0.855912
H 8.010798 0.298986 -1.897203
H 4.570784 1.941788 -3.914389
H 6.998612 1.398691 -3.886377
H -8.039461 1.399959 -1.549306
H -6.538940 -2.554269 -0.708181
H -8.452601 -1.002653 -1.052813


%chk=000277654-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277654

0 1
O -0.666995 1.142024 0.334433
O 2.561402 0.788755 0.146777
O 0.094349 1.557662 2.593980
O -3.002877 -0.608657 -0.547844
O 0.958669 -3.242220 -0.812102
O 4.047577 -0.551560 1.353810
O -3.167503 0.452178 -2.627293
N 0.855053 -2.107802 1.216950
C 0.692186 -0.836223 0.492349
C 1.486263 0.367243 1.075581
C -0.788458 -0.335510 0.437854
C 0.462709 1.511308 1.182016
C -1.554482 -0.857397 -0.767409
C 0.914940 -2.083939 2.691092
C 1.038261 -3.267030 0.458454
C 3.831220 0.230414 0.394633
C -0.919828 2.586043 2.884831
C 1.320381 -4.558486 1.217436
C -3.697373 0.084441 -1.551528
C 4.841732 0.685960 -0.597530
C -5.124659 0.311475 -1.177306
C 6.179309 0.237819 -0.436516
C 4.503204 1.536617 -1.682695
C 7.171843 0.640403 -1.352120
C 5.500727 1.934815 -2.596919
C -5.953274 0.993560 -2.106009
C -5.662062 -0.129457 0.059763
C 6.834333 1.489549 -2.433633
C -7.308266 1.233581 -1.799428
C -7.018980 0.112371 0.361839
C -7.843770 0.793398 -0.565156
H 1.037601 -1.015425 -0.542449
H 1.939951 0.155773 2.055458
H -1.317781 -0.597275 1.376192
H 0.822110 2.492112 0.820972
H -1.231465 -0.355411 -1.695832
H -1.419893 -1.947853 -0.865063
H 1.956054 -1.983077 3.054315
H 0.477702 -3.002606 3.112814
H 0.331156 -1.227290 3.071320
H -0.525011 3.597530 2.660529
H -1.837804 2.411255 2.295098
H -1.132896 2.500584 3.961055
H 0.429421 -4.901701 1.776224
H 1.583786 -5.328835 0.478269
H 2.150447 -4.445466 1.936867
H 6.415142 -0.421168 0.405548
H 3.468646 1.869919 -1.800653
H -5.515609 1.323301 -3.054046
H -5.013444 -0.655230 0.765518
H 8.203368 0.294312 -1.227449
H 5.240502 2.588223 -3.436423
H 7.605985 1.800514 -3.146772
H -7.946040 1.760163 -2.517540
H -7.434697 -0.228779 1.316281
H -8.897362 0.979295 -0.327638


