%chk=000170329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170329

1 1
 O    1.502200      0.5128000       1.071200    
 O    4.046400     -0.8926000      0.1632000    
 O    2.096800      -2.216100      -1.189600    
 O   -4.518600       1.006100     -0.4144000    
 N  -0.2999000     -0.9657000      0.3917000    
 N   -2.660900       2.350500     -0.4266000    
 C    3.120700     -8.6999997E-02 -0.5665000    
 C    2.631000       1.040000      0.3371000    
 C    1.851100     -0.8765000     -0.8151000    
 C    1.166200     -0.7811000      0.5363000    
 C    2.169700       2.265500     -0.4394000    
 C    1.720400       3.378200      0.4905000    
 C   -1.074400      0.1021000      0.1268000    
 C  -0.8233000      -2.197700      0.5285000    
 C   -2.447300     -4.1299999E-02 -1.4400000E-02
 C   -2.189700      -2.400700      0.3980000    
 C   -3.006700      -1.308000      0.1236000    
 C   -3.284000       1.111500     -0.3008000    
 H    3.614600      0.2417000      -1.485300    
 H    3.394100       1.324800       1.070600    
 H    1.253600     -0.3988000      -1.599600    
 H    1.521400      -1.536500       1.248200    
 H    1.336900       2.016300      -1.106300    
 H    2.989700       2.636000      -1.065300    
 H    4.829500     -0.3444000      0.3420000    
 H    2.668400      -2.617500     -0.5130000    
 H   0.8587000       3.075100       1.093500    
 H    2.527200       3.675300       1.168300    
 H    1.427400       4.258700     -9.0200000E-02
 H  -0.5482000       1.036100      2.2500001E-02
 H  -0.1362000      -3.008800      0.7376000    
 H   -2.612900      -3.393500      0.5067000    
 H   -4.076700      -1.467800      2.1000000E-02
 H   -1.667200       2.523400     -0.3426000    
 H   -3.223100       3.173400     -0.6202000    


%chk=000170329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170329

1 1
O 1.344831 0.773574 0.813375
O 4.015125 -0.969412 0.718240
O 2.278989 -2.520410 -0.494414
O -4.662972 1.051216 -0.628262
N -0.371808 -0.828175 0.312078
N -3.354342 2.279289 0.855363
C 3.274449 -0.218981 -0.304992
C 2.706729 1.125094 0.215436
C 2.021524 -1.104575 -0.541919
C 1.101765 -0.627043 0.626345
C 2.530930 2.204228 -0.861470
C 1.915251 3.509363 -0.316136
C -1.242505 0.232084 0.382645
C -0.790137 -2.097228 -0.020294
C -2.606554 0.042939 0.099064
C -2.140154 -2.324277 -0.321875
C -3.055083 -1.249886 -0.274355
C -3.626397 1.170615 0.084230
H 3.874708 -0.088343 -1.223350
H 3.302384 1.506728 1.063787
H 1.556722 -0.881339 -1.517107
H 1.311794 -1.211146 1.544270
H 1.917877 1.809360 -1.695533
H 3.533881 2.422875 -1.280473
H 4.958409 -0.682920 0.778686
H 3.080394 -2.648717 0.089868
H 0.912833 3.333961 0.112480
H 2.548972 3.949328 0.475108
H 1.814717 4.257133 -1.120933
H -0.776939 1.187452 0.633151
H -0.014645 -2.869322 -0.059727
H -2.459300 -3.331222 -0.599146
H -4.111145 -1.377127 -0.533394
H -2.603568 2.322669 1.543018
H -4.029834 3.045713 0.834234


