%chk=000176877.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176877

0 1
 O  -0.2298000      -1.534300     -0.5512000    
 O    2.057500      -2.652900      -1.747100    
 O   -2.536200       2.012400      -1.376000    
 O  -0.7105000      0.8611000      -2.202600    
 N    2.694200     -4.9400002E-02  0.8069000    
 C    3.143700       1.331600      0.6957000    
 C    2.561200     -0.6614000     -0.5082000    
 C    2.099800      -2.118100     -0.4210000    
 C    3.275300       1.917500       2.105500    
 C    4.504300       1.346700     -9.1000004E-03
 C    2.121000       2.135700     -0.1157000    
 C   0.7206000      -2.277500      0.2150000    
 C   -1.941700      0.1234000     -0.2887000    
 C   -1.307200      -1.039600      0.1067000    
 C   -3.039500      0.6356000      0.3723000    
 C   -3.483700       1.876700     -0.2866000    
 C   -1.819600      -1.701700       1.223200    
 C   -3.556100     -1.1800000E-02   1.479600    
 C   -1.615900      0.9975000      -1.404300    
 C   -2.937200      -1.191300       1.905600    
 H    1.858600     -0.1318000      -1.158800    
 H    3.515400     -0.6920000      -1.044800    
 H    1.799600     -7.7000000E-02   1.294300    
 H    2.830200      -2.710800      0.1412000    
 H    2.314300       1.909600       2.633500    
 H    3.992400       1.348500       2.708900    
 H    3.623800       2.956100       2.071800    
 H    4.443200       1.162800      -1.086900    
 H    5.199000      0.6210000      0.4308000    
 H    4.971800       2.333900      9.6500002E-02
 H    1.099400       1.982900      0.2526000    
 H    2.330600       3.209100     -2.7700000E-02
 H    2.140000       1.916800      -1.188200    
 H   0.7625000      -1.954200       1.261600    
 H   0.4249000      -3.332900      0.1786000    
 H   -4.489700       1.792900     -0.7061000    
 H   -3.397500       2.751500      0.3633000    
 H    1.375000      -2.167000      -2.241000    
 H   -1.399400      -2.636600       1.583600    
 H   -4.419400      0.3791000       2.007200    
 H   -3.327800      -1.722800       2.769300    


%chk=000176877-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176877

0 1
O -0.485656 -0.645666 -0.308470
O 1.473112 -1.381894 -2.100378
O -4.284625 0.734872 -1.916547
O -2.030634 0.650959 -2.539152
N 2.619969 1.039349 0.594569
C 4.066832 1.352619 0.828014
C 2.178739 0.569491 -0.737846
C 1.835568 -0.946269 -0.747481
C 4.198829 1.728027 2.324607
C 4.923969 0.097508 0.533534
C 4.559433 2.544518 -0.048802
C 0.725924 -1.292869 0.253035
C -2.838333 -0.272447 -0.368596
C -1.709149 -0.800545 0.311258
C -4.127390 -0.357030 0.196752
C -5.107450 0.288926 -0.762948
C -1.915447 -1.430773 1.566143
C -4.345187 -0.970374 1.443260
C -2.902821 0.391452 -1.693390
C -3.218468 -1.507267 2.113193
H 1.272792 1.121712 -1.054842
H 2.941745 0.734482 -1.524101
H 2.028715 1.800096 0.951207
H 2.733590 -1.531299 -0.485172
H 3.573120 2.608813 2.569173
H 3.873571 0.886028 2.960693
H 5.245228 1.979758 2.574275
H 4.854840 -0.203035 -0.527938
H 4.592890 -0.749964 1.160161
H 5.987316 0.302460 0.753266
H 3.990383 3.463142 0.189712
H 5.632023 2.751148 0.124640
H 4.428292 2.330833 -1.125602
H 0.968097 -0.869690 1.246179
H 0.557340 -2.384849 0.308126
H -5.870116 -0.413907 -1.143555
H -5.608781 1.177972 -0.339979
H 0.596988 -0.967464 -2.325115
H -1.072061 -1.854230 2.118489
H -5.344139 -1.038965 1.884724
H -3.351948 -1.996327 3.084607


