%chk=000157268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157268

0 1
 O    1.051900      -1.238700      9.5899999E-02
 O    2.220700      0.6559000     -0.6519000    
 O    3.594600      -1.811300     -0.8658000    
 O    5.830500     -0.9790000      0.5568000    
 O    5.618000       1.876700      1.9300001E-02
 O   -2.752900       2.739900      0.2349000    
 N   -1.246200      -1.546400     -0.2315000    
 C   -4.814000     -0.3173000      5.7500001E-02
 C   -3.754100      -1.314700     -0.4957000    
 C   -4.467500       1.147100     -0.3398000    
 C   -2.384100     -0.7885000     -0.2579000    
 C   -2.034000      0.5248000     -3.0999999E-02
 C    3.433100      -1.163800      0.4003000    
 C    4.620100     -0.2349000      0.6572000    
 C   -4.911600     -0.4355000       1.593500    
 C   -6.188600     -0.6793000     -0.5348000    
 C   -3.037600       1.568100      3.1000001E-03
 C    2.136200     -0.3532000      0.3587000    
 C    4.627100      0.9216000     -0.3450000    
 C  -0.1699000     -0.7316000      1.8300001E-02
 C  -0.6311000      0.5622000      0.1492000    
 C    3.259400       1.598000     -0.3913000    
 H   -3.887000      -1.441700      -1.577900    
 H   -3.876400      -2.302500     -3.5500001E-02
 H   -5.154900       1.844200      0.1545000    
 H   -4.582600       1.280500      -1.423100    
 H    3.378800      -1.958100       1.152800    
 H    4.569500      0.1585000       1.680000    
 H    1.971900      0.1214000       1.336600    
 H   -3.967200     -0.1896000       2.089400    
 H   -5.676900      0.2408000       1.991200    
 H   -5.184300      -1.454200       1.891900    
 H   -6.473600      -1.704800     -0.2741000    
 H   -6.970100     -8.8000000E-03 -0.1603000    
 H   -6.182000     -0.6033000      -1.627900    
 H    4.893200      0.5379000      -1.337400    
 H   -1.200400      -2.546700     -0.3692000    
 H    3.046800       2.134100      0.5422000    
 H    3.241900       2.351100      -1.186800    
 H  -3.9999999E-02   1.442400      0.3601000    
 H    4.443200      -2.285600     -0.8415000    
 H    6.566000     -0.3572000      0.6910000    
 H    5.590500       2.592800     -0.6380000    


%chk=000157268-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157268

0 1
O 1.078921 -1.123839 -0.249401
O 2.369588 0.729450 -0.888951
O 3.725734 -1.948872 -0.707357
O 5.758557 -1.040710 0.901431
O 5.886037 1.699325 0.114878
O -2.957789 2.818474 0.411739
N -1.259637 -1.434959 -0.462956
C -4.898374 -0.375894 0.109923
C -3.838223 -1.286791 -0.598741
C -4.608700 1.119820 -0.236874
C -2.459233 -0.734607 -0.384498
C -2.137505 0.602102 -0.077728
C 3.398419 -1.127938 0.449126
C 4.577523 -0.182700 0.774287
C -4.839263 -0.585241 1.646786
C -6.310179 -0.753720 -0.402051
C -3.182577 1.612775 0.079102
C 2.152379 -0.268407 0.167921
C 4.765614 0.855660 -0.340708
C -0.196167 -0.554162 -0.215089
C -0.696182 0.719378 0.027968
C 3.456893 1.653304 -0.519073
H -4.072162 -1.327220 -1.684611
H -3.926875 -2.323862 -0.216131
H -5.320165 1.782638 0.289276
H -4.769612 1.274860 -1.325512
H 3.192291 -1.764563 1.335960
H 4.387738 0.361726 1.724895
H 1.866366 0.269394 1.105731
H -3.838279 -0.354578 2.052156
H -5.569417 0.071884 2.154234
H -5.084538 -1.631772 1.909283
H -6.538184 -1.816070 -0.190120
H -7.084325 -0.138740 0.092960
H -6.398976 -0.596385 -1.493805
H 5.009619 0.335711 -1.288443
H -1.139209 -2.427042 -0.664051
H 3.215952 2.201586 0.418874
H 3.516859 2.371050 -1.353121
H -0.137837 1.634687 0.199337
H 4.649673 -2.281855 -0.545508
H 6.552802 -0.446806 0.927312
H 6.208844 2.264211 -0.630454


