%chk=000114659.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114659

0 1
O 5.591363 0.099571 -0.486670
C -3.467365 -0.040403 -0.185070
C -1.959020 0.030768 0.069189
C -3.738151 0.569956 -1.574810
C -4.217868 0.760391 0.898475
C -3.992323 -1.488460 -0.158009
C -1.366223 1.270347 0.372077
C -1.132712 -1.097181 -0.023178
C 0.005480 1.376946 0.593904
C 0.245220 -0.997801 0.189934
C 0.825642 0.239232 0.501481
C 2.269820 0.363177 0.756367
C 3.241090 -0.014167 -0.091665
C 3.021661 -0.619858 -1.433654
C 4.675194 0.190070 0.301237
H -4.804787 0.546331 -1.819064
H -3.411477 1.613500 -1.629510
H -3.206433 0.021576 -2.360004
H -3.977220 1.827779 0.861588
H -5.302424 0.671210 0.777725
H -3.966256 0.399944 1.901823
H -5.077111 -1.515996 -0.308819
H -3.545086 -2.100614 -0.948120
H -3.785801 -1.971704 0.803001
H -1.985946 2.164936 0.436821
H -1.553016 -2.072336 -0.267250
H 0.443415 2.345215 0.829656
H 0.870014 -1.886734 0.117788
H 2.508441 0.817319 1.724365
H 2.072968 -0.301091 -1.887432
H 3.833910 -0.347890 -2.129980
H 3.010339 -1.717711 -1.376874
H 4.855665 0.432479 1.362375


%chk=000114659-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114659

0 1
O 5.820692 -0.006981 -0.078898
C -3.565662 -0.010527 -0.154943
C -2.027683 0.121605 -0.081330
C -4.120077 1.035684 -1.170283
C -4.175474 0.267127 1.253271
C -4.018774 -1.420507 -0.612519
C -1.437360 1.347601 0.338861
C -1.143822 -0.936422 -0.419975
C -0.044158 1.500947 0.413133
C 0.256259 -0.789960 -0.350057
C 0.848119 0.438326 0.068347
C 2.285939 0.698547 0.174433
C 3.385662 -0.088934 -0.112859
C 3.400948 -1.505343 -0.643411
C 4.703217 0.547416 0.126863
H -5.223497 0.973138 -1.214860
H -3.850226 2.067592 -0.883195
H -3.721148 0.850451 -2.184328
H -3.923841 1.279119 1.617124
H -5.277897 0.187194 1.210807
H -3.803603 -0.462481 1.995623
H -5.122743 -1.459454 -0.646407
H -3.645165 -1.662530 -1.624518
H -3.678029 -2.208321 0.084519
H -2.076812 2.194641 0.612447
H -1.548920 -1.898624 -0.746332
H 0.376303 2.459924 0.741853
H 0.885635 -1.639611 -0.620265
H 2.522097 1.710236 0.547232
H 2.875181 -1.584967 -1.613026
H 4.448348 -1.820084 -0.788676
H 2.923766 -2.212256 0.060869
H 4.653727 1.596256 0.518196


