%chk=000290321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290321

0 1
O -3.182820 -0.208105 0.050697
O 6.741434 0.159720 -0.815435
O 2.831905 2.336065 0.300972
N 4.609839 0.978064 -0.348459
N 2.508411 -3.112490 0.018677
C 3.322692 -0.932547 0.600628
C 3.831970 -0.243156 -0.675409
C 2.191914 -1.879259 0.261843
C 0.806724 -1.353384 0.225316
C -0.250836 -2.297935 0.172964
C 0.062921 -3.766547 0.219323
C 6.441508 2.453387 0.021250
C 5.139022 3.180983 0.378744
C 1.467370 -4.092895 -0.321579
C 6.038237 1.057822 -0.433521
C 4.017572 2.181990 0.134295
C -1.574476 -1.870569 0.117859
C 0.507779 0.013988 0.218537
C -1.841068 -0.485962 0.110329
C -0.812979 0.464869 0.160081
C -3.594516 1.198396 0.037800
C -5.094634 1.125640 -0.030299
C -5.739965 1.090633 -1.275095
C -5.850127 1.089917 1.150860
C -7.135223 1.036659 -1.335412
C -7.245113 1.036000 1.084424
C -7.888624 1.012124 -0.157218
H 4.154628 -1.489847 1.086144
H 2.983260 -0.190677 1.352506
H 4.487383 -0.939492 -1.253054
H 2.982097 0.046263 -1.336253
H -0.019930 -4.103755 1.276843
H -0.694788 -4.353334 -0.336936
H 7.137728 2.388024 0.880184
H 7.005996 2.967888 -0.780818
H 4.982064 4.090137 -0.234051
H 5.122887 3.525258 1.431181
H 1.809225 -5.075205 0.079048
H 1.440575 -4.198478 -1.431525
H -2.405752 -2.570036 0.080250
H 1.313757 0.759661 0.258392
H -1.013815 1.529949 0.155600
H -3.145703 1.686041 -0.846108
H -3.227260 1.678733 0.962432
H -5.155362 1.096031 -2.194053
H -5.351288 1.094833 2.119056
H -7.635487 1.009848 -2.302167
H -7.830944 1.008698 2.001840
H -8.975389 0.970451 -0.206582


%chk=000290321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290321

0 1
O -3.292025 -0.363964 0.089486
O 6.767960 0.042155 -0.853833
O 2.943616 2.487599 0.305801
N 4.680703 1.026781 -0.334510
N 2.616038 -3.086741 0.004516
C 3.340064 -0.865740 0.629311
C 3.816925 -0.124601 -0.652763
C 2.233061 -1.860215 0.298323
C 0.815108 -1.397493 0.263688
C -0.218886 -2.389607 0.223672
C 0.205039 -3.847103 0.307345
C 6.607344 2.396168 -0.012238
C 5.343600 3.208631 0.360950
C 1.559624 -4.054848 -0.405124
C 6.095434 1.018713 -0.452469
C 4.167037 2.255252 0.129778
C -1.565367 -2.000471 0.169544
C 0.448774 -0.027081 0.266768
C -1.916322 -0.625096 0.155291
C -0.904897 0.367326 0.210003
C -3.714294 1.063614 0.070472
C -5.220170 1.098664 -0.031944
C -5.852663 1.120594 -1.300030
C -6.020657 1.098885 1.137515
C -7.261563 1.140007 -1.399157
C -7.429917 1.118235 1.042859
C -8.053141 1.139587 -0.226828
H 4.190709 -1.424260 1.053755
H 2.990630 -0.126816 1.371185
H 4.399152 -0.812854 -1.287689
H 2.952543 0.255270 -1.224999
H 0.319176 -4.123851 1.376803
H -0.566070 -4.514431 -0.118651
H 7.304727 2.264152 0.832620
H 7.185041 2.843458 -0.838950
H 5.205008 4.107688 -0.263654
H 5.334558 3.542625 1.412568
H 1.946919 -5.071015 -0.214198
H 1.429068 -3.960406 -1.505159
H -2.368816 -2.744101 0.141479
H 1.213970 0.756885 0.308767
H -1.149661 1.433110 0.210738
H -3.239698 1.563197 -0.797730
H -3.361007 1.550578 1.001367
H -5.239563 1.116302 -2.209374
H -5.537897 1.077317 2.122035
H -7.740606 1.156995 -2.384324
H -8.039563 1.118170 1.953170
H -9.146246 1.157137 -0.302083


