%chk=000051149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051149

0 1
 O   -3.062000      0.7461000      0.3481000    
 O   -4.260200       3.239300      0.7577000    
 C   -3.036500     -0.5456000     -0.2665000    
 C   -4.212900     -0.6557000      -1.250200    
 C   -3.151400      -1.601000      0.8443000    
 C   -1.702000     -0.6864000      -1.000900    
 C   -5.567000     -0.6141000     -0.5405000    
 C   -4.509600      -1.558900       1.547000    
 C   -5.660800      -1.673300      0.5529000    
 C  -0.5184000     -0.4640000     -5.9500001E-02
 C   0.8137000     -0.5726000     -0.8050000    
 C    1.995500     -0.3118000      0.1316000    
 C   -2.959700       1.776400     -0.6205000    
 C    3.352400     -0.3369000     -0.5782000    
 C    4.536800     -0.1013000      0.3632000    
 C   -3.015600       3.120700      7.9300001E-02
 C    5.864500     -0.1493000     -0.3983000    
 C    7.089200      5.0299998E-02  0.4990000    
 C    8.410200      7.5599998E-02 -0.2703000    
 C    9.593800      0.2626000      0.6670000    
 H   -4.195500      6.5200001E-02  -2.070800    
 H   -4.139700      -1.631400      -1.753200    
 H   -2.992800      -2.605100      0.4317000    
 H   -2.400700      -1.439500       1.625200    
 H   -1.630200      -1.704400      -1.409400    
 H   -1.623000     -3.7500001E-02  -1.879200    
 H   -5.731300      0.3797000     -0.1075000    
 H   -6.366900     -0.7769000      -1.272100    
 H   -4.571100      -2.375400       2.275400    
 H   -4.606000     -0.6233000       2.111400    
 H   -6.615600      -1.574100       1.081300    
 H   -5.650800      -2.671000      9.7000003E-02
 H  -0.5753000      0.5204000      0.4179000    
 H  -0.5091000      -1.212400      0.7392000    
 H   0.9110000      -1.569400      -1.251700    
 H   0.8344000      0.1543000      -1.626100    
 H    1.867800      0.6649000      0.6146000    
 H    1.994200      -1.062700      0.9314000    
 H   -3.801900       1.777300      -1.313800    
 H   -2.015900       1.760500      -1.168300    
 H    3.475100      -1.306600      -1.076800    
 H    3.358200      0.4268000      -1.365700    
 H    4.428800      0.8727000      0.8551000    
 H    4.537400     -0.8644000       1.150500    
 H   -2.218700       3.200600      0.8256000    
 H   -2.925600       3.940600     -0.6397000    
 H    5.860100      0.6251000      -1.175500    
 H    5.954500      -1.113800     -0.9135000    
 H    7.118100     -0.7523000       1.246400    
 H    6.977600      0.9919000       1.051200    
 H    8.533700     -0.8610000     -0.8261000    
 H    8.397200      0.8898000      -1.003900    
 H   -4.264100       4.107300       1.196000    
 H    10.52850      0.2782000      9.7900003E-02
 H    9.514300       1.206400       1.215900    
 H    9.651900     -0.5542000       1.393500    


%chk=000051149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051149

0 1
O -3.185204 0.887655 0.280076
O -4.850094 3.088411 0.645167
C -3.063660 -0.509207 -0.251015
C -4.183356 -0.812526 -1.285826
C -3.260216 -1.382658 1.013596
C -1.667781 -0.714216 -0.898522
C -5.605319 -0.680261 -0.697284
C -4.686336 -1.277616 1.603311
C -5.772643 -1.584430 0.546715
C -0.458491 -0.427585 0.018348
C 0.881415 -0.433714 -0.751673
C 2.113239 -0.257691 0.164522
C -3.074975 1.998648 -0.675904
C 3.452563 -0.234638 -0.606142
C 4.688563 -0.132488 0.315894
C -3.487560 3.238435 0.124852
C 6.027618 -0.100608 -0.455237
C 7.265688 -0.040888 0.467702
C 8.604515 -0.005259 -0.304508
C 9.836361 0.037308 0.625507
H -4.068619 -0.164396 -2.176863
H -4.032056 -1.852191 -1.642413
H -3.045840 -2.435481 0.738293
H -2.517656 -1.082124 1.774525
H -1.611561 -1.758578 -1.267793
H -1.598437 -0.071020 -1.801457
H -5.793884 0.374991 -0.416663
H -6.353858 -0.945005 -1.469065
H -4.781591 -1.968509 2.463500
H -4.835177 -0.253226 1.996550
H -6.780601 -1.452114 0.985065
H -5.693924 -2.647938 0.236730
H -0.601346 0.550842 0.518638
H -0.410640 -1.184903 0.826259
H 0.979889 -1.386849 -1.313338
H 0.871769 0.374060 -1.513847
H 2.007687 0.681534 0.746862
H 2.133949 -1.082250 0.907741
H -3.765575 1.856068 -1.531165
H -2.037425 2.103544 -1.058266
H 3.534319 -1.153692 -1.224044
H 3.452768 0.617931 -1.317299
H 4.605157 0.779509 0.943587
H 4.691486 -0.992620 1.017944
H -2.765220 3.399963 0.952577
H -3.503353 4.132205 -0.521562
H 6.036699 0.774365 -1.138662
H 6.097928 -1.000133 -1.102585
H 7.259478 -0.919250 1.146871
H 7.196590 0.855234 1.119700
H 8.667669 -0.895508 -0.963474
H 8.614123 0.878194 -0.975304
H -4.876019 2.192735 1.075098
H 10.779941 0.065083 0.049828
H 9.810852 0.931931 1.276251
H 9.866751 -0.852675 1.282303


