%chk=000159513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159513

0 1
 O    1.871700       1.372900       1.271500    
 O  -0.8247000      0.6558000      0.9958000    
 O   -2.842700      0.7691000     -0.1692000    
 O   -1.487700      -1.953400       1.854400    
 O   -4.399100      -2.386700       1.949900    
 O   -5.596900      -1.602500     -0.5797000    
 O   -5.803700      0.6481000      -2.052000    
 O    5.756900      0.6463000      8.8000000E-02
 O   -4.590600       2.352700      -1.147300    
 O    4.453400      -3.594800      -1.121200    
 N    3.471900      0.1682000      5.9300002E-02
 N    2.193600       4.390600      0.6356000    
 N    5.092800      -1.464800     -0.5138000    
 C   0.8943000       2.315800      0.7904000    
 C    1.635500       3.278400     -0.1374000    
 C    2.736900       2.395900     -0.6927000    
 C    3.060300       1.478100      0.4743000    
 C  -0.1967000       1.529000      7.0100002E-02
 C   -1.857000     -0.1068000      0.3720000    
 C   -2.478200      -1.016000       1.432600    
 C   -3.686100      -1.770600      0.8764000    
 C   -4.646400     -0.8283000      0.1501000    
 C   -3.891100      6.5499999E-02 -0.8256000    
 C    2.493700     -0.7888000     -0.1796000    
 C    4.836800     -0.1511000     -0.1057000    
 C   -4.770000       1.159400      -1.339700    
 C    2.742100      -2.045100     -0.5700000    
 C    4.157500      -2.457300     -0.7650000    
 C    1.673400      -3.059600     -0.8216000    
 H   0.4562000       2.813800       1.663700    
 H   0.9949000       3.689600     -0.9240000    
 H    2.350000       1.829300      -1.549400    
 H    3.616400       2.941300      -1.051600    
 H    3.837200       1.926400       1.104900    
 H   0.1935000      0.9621000     -0.7802000    
 H  -0.9316000       2.245200     -0.3166000    
 H   -1.404300     -0.7070000     -0.4292000    
 H   -2.765200     -0.4320000       2.315900    
 H   -3.355200      -2.583300      0.2179000    
 H   -5.206500     -0.2315000      0.8805000    
 H   -3.486600     -0.4807000      -1.686700    
 H    1.435100       4.953100       1.019000    
 H    2.721900       5.003700      1.6200000E-02
 H    1.465900     -0.5035000     -2.9400000E-02
 H   -1.903600      -2.540300       2.508900    
 H   -5.163000      -2.849200       1.564400    
 H   -5.113000      -2.137300      -1.232000    
 H    6.069100      -1.717500     -0.6390000    
 H    1.714600      -3.409500      -1.858200    
 H   0.6717000      -2.651700     -0.6483000    
 H    1.800100      -3.921200     -0.1580000    
 H   -6.394200       1.351300      -2.397100    


%chk=000159513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000159513

0 1
O 1.879872 1.504780 1.357958
O -0.834325 0.737439 0.799446
O -2.917238 0.832202 -0.256907
O -1.239886 -2.078993 1.390019
O -4.010111 -2.752085 1.596116
O -5.634343 -1.772816 -0.546236
O -6.258335 0.646966 -1.630211
O 5.476148 0.863938 -0.669588
O -4.711591 2.381436 -1.679810
O 4.353494 -3.640608 -1.284603
N 3.382686 0.114884 0.091051
N 2.262338 4.492837 0.758904
N 4.869163 -1.389387 -0.942250
C 0.892084 2.432341 0.748182
C 1.734558 3.422688 -0.098889
C 2.896568 2.521989 -0.590065
C 3.104871 1.516612 0.574472
C -0.141481 1.682696 -0.099044
C -1.796057 -0.073811 0.151363
C -2.316293 -1.120271 1.145479
C -3.530535 -1.850478 0.548388
C -4.639774 -0.899132 0.073004
C -4.005540 0.118752 -0.922266
C 2.473887 -0.932566 0.271346
C 4.639378 -0.075269 -0.516555
C -4.964966 1.194305 -1.433245
C 2.718355 -2.218670 -0.162248
C 3.993140 -2.513951 -0.830207
C 1.737585 -3.348717 0.035304
H 0.384116 2.917743 1.599539
H 1.135025 3.789093 -0.966926
H 2.612976 1.984543 -1.512226
H 3.820323 3.082915 -0.796470
H 3.945568 1.808256 1.224765
H 0.339017 1.119538 -0.927207
H -0.877927 2.393438 -0.520628
H -1.391465 -0.560433 -0.769662
H -2.615217 -0.605138 2.080617
H -3.196475 -2.440555 -0.334906
H -5.064586 -0.343699 0.935145
H -3.640988 -0.454121 -1.808757
H 1.559289 5.052306 1.248870
H 2.999389 5.060990 0.333808
H 1.561116 -0.659437 0.808432
H -1.619300 -2.803554 1.952897
H -4.811359 -3.220526 1.246648
H -6.343418 -1.196805 -0.939882
H 5.775373 -1.559883 -1.389684
H 1.524673 -3.848535 -0.927584
H 0.793399 -2.983672 0.472487
H 2.166173 -4.125498 0.695926
H -6.866052 1.347022 -1.992510


