%chk=000150217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150217

0 1
 O    2.990000     -0.5880000     -0.7141000    
 O    4.505400       1.776900       1.644900    
 O    4.829700     -0.7880000       2.959200    
 O    5.287600      -2.871200       1.012700    
 O    3.906600      -3.949200      -1.104200    
 O    1.994300      -2.782200      -1.525200    
 O    4.029500       3.515100     -0.7680000    
 O   -7.769200      0.4048000       1.684400    
 N    2.547500       1.670700     -0.5286000    
 N   -6.923000     -0.8791000     -0.1028000    
 C    3.843100      0.5815000       1.236400    
 C    4.765000     -0.5987000       1.544300    
 C    3.526500      0.6497000     -0.2572000    
 C    4.255300      -1.891500      0.9080000    
 C    3.904700      -1.668100     -0.5596000    
 C    3.144900      -2.828100      -1.115900    
 C    1.136600       1.291100     -0.4645000    
 C    2.894100       3.032600     -0.7631000    
 C   0.5300000      0.9222000      -1.627500    
 C   0.5272000       1.332900      0.7534000    
 C    1.735400       3.950400      -1.079000    
 C  -0.8157000      0.5604000      -1.566800    
 C  -0.8186000      0.9710000      0.8141000    
 C   -1.489900      0.5847000     -0.3461000    
 C   -2.885700      0.2080000     -0.2830000    
 C   -3.397400     -0.7256000      -1.183800    
 C   -3.719600      0.7797000      0.6781000    
 C   -4.743100      -1.087800      -1.123900    
 C   -5.065400      0.4175000      0.7382000    
 C   -5.577100     -0.5164000     -0.1628000    
 C   -7.904800     -0.4172000      0.7839000    
 C   -9.244000      -1.058100      0.5187000    
 H    2.941400      0.4836000       1.847400    
 H    5.791000     -0.3919000       1.214600    
 H    4.428400      0.8966000     -0.8327000    
 H    3.386700      -2.267300       1.463700    
 H    4.786800      -1.500700      -1.189700    
 H    5.306900       1.877800       1.103700    
 H    5.136000      4.8200000E-02   3.349900    
 H    5.495300      -2.975600       1.957100    
 H    1.053800      0.9092000      -2.577600    
 H    1.037300       1.648500       1.656300    
 H    2.116200       4.964600      -1.240100    
 H    1.231600       3.637800      -1.996800    
 H    1.030900       3.995000     -0.2452000    
 H   -1.304300      0.2960000      -2.500600    
 H   -1.294700      0.9806000       1.790700    
 H    3.424200      -4.723700      -1.464400    
 H   -2.779900      -1.219700      -1.928800    
 H   -3.372000       1.533500       1.379300    
 H   -5.127300      -1.821700      -1.827900    
 H   -5.650400      0.9073000       1.504100    
 H   -7.218900      -1.565800     -0.7935000    
 H   -9.160400      -2.144700      0.6109000    
 H   -9.978200     -0.6966000       1.243900    
 H   -9.583100     -0.8016000     -0.4889000    


%chk=000150217-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150217

0 1
O 3.217456 -0.622454 -0.834643
O 4.200513 1.605983 2.059282
O 5.017006 -1.040454 2.964765
O 5.538428 -2.982400 0.884756
O 4.507437 -3.207216 -2.506520
O 2.686567 -3.543245 -1.099090
O 4.193074 3.272623 -0.213974
O -8.217884 0.941715 1.053282
N 2.568272 1.633502 -0.478933
N -7.169876 -0.908006 0.053779
C 3.786350 0.388670 1.353141
C 4.857935 -0.697593 1.551522
C 3.606879 0.627956 -0.164376
C 4.468466 -1.988867 0.823640
C 4.247842 -1.673741 -0.672353
C 3.704350 -2.895270 -1.410290
C 1.164202 1.272382 -0.420944
C 3.000684 2.959489 -0.563645
C 0.579564 0.457102 -1.417414
C 0.372552 1.740359 0.656455
C 2.032548 4.001257 -1.088861
C -0.784929 0.120208 -1.333459
C -0.993557 1.406347 0.726759
C -1.601795 0.586877 -0.265231
C -3.041799 0.220523 -0.180805
C -3.508886 -1.037678 -0.652172
C -4.000936 1.108593 0.377489
C -4.866745 -1.387429 -0.565311
C -5.366033 0.777153 0.470627
C -5.811820 -0.485988 -0.003704
C -8.279832 -0.220660 0.556104
C -9.598415 -0.985901 0.459414
H 2.829833 0.057734 1.798872
H 5.823355 -0.321305 1.142301
H 4.562175 1.010413 -0.584615
H 3.528457 -2.386297 1.259078
H 5.204266 -1.358242 -1.133254
H 4.501444 2.289865 1.385951
H 5.138384 -0.189954 3.462105
H 5.775966 -3.100211 1.840570
H 1.197650 0.089026 -2.239799
H 0.838152 2.339735 1.447363
H 2.619103 4.762965 -1.626841
H 1.262765 3.573882 -1.749753
H 1.522034 4.508329 -0.250141
H -1.229344 -0.491713 -2.125827
H -1.583061 1.747579 1.584507
H 4.161080 -4.028898 -2.950822
H -2.797102 -1.765411 -1.056544
H -3.681627 2.098575 0.722187
H -5.195177 -2.371623 -0.924244
H -6.090987 1.474266 0.893721
H -7.351919 -1.841317 -0.321786
H -9.506693 -1.989061 0.007477
H -10.025707 -1.090564 1.471524
H -10.313467 -0.392213 -0.135720


