%chk=000158700.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158700

0 1
 O   -5.133300      -1.196500      -2.006600    
 O   -3.440300      -2.314500       1.619500    
 O   -3.352000      -2.967300     -0.5947000    
 O    6.261100      -1.885100     -0.6158000    
 N  -0.7097000       2.298200      0.4500000    
 N    1.666500     -0.5936000      0.4551000    
 C   -2.803100      0.2485000      0.6351000    
 C   -3.120800       1.726800      0.3169000    
 C   -1.344600     -8.4700003E-02  0.2475000    
 C  -0.3598000      0.9153000      0.8758000    
 C   -3.853300     -0.6827000     -9.3000000E-03
 C   -2.052100       2.658400      0.9177000    
 C   -3.279600       1.960600      -1.197700    
 C   -4.025100     -0.4424000      -1.513600    
 C   -4.319600       1.028200      -1.804500    
 C    1.063500      0.6312000      0.5019000    
 C   0.3006000       3.283000      0.8913000    
 C    2.011100       1.590600      0.2124000    
 C    1.662600       3.038200      0.1994000    
 C   -3.520200      -2.120400      0.2723000    
 C    3.236700      0.9223000     -5.1899999E-02
 C    2.992900     -0.4464000      0.1066000    
 C    4.533700       1.342500     -0.4083000    
 C    3.987400      -1.414400     -7.4699998E-02
 C    5.536400      0.3840000     -0.5935000    
 C    5.265300     -0.9726000     -0.4288000    
 C   -3.127700      -3.649100       2.031000    
 C    5.923200      -3.258000     -0.4330000    
 H   -2.872300      0.1351000       1.726900    
 H   -4.080000       1.977400      0.7914000    
 H   -1.224100     -9.6199997E-02 -0.8432000    
 H   -1.098200      -1.096200      0.5920000    
 H  -0.4293000      0.8422000       1.971000    
 H   -4.829600     -0.5068000      0.4663000    
 H   -2.287000       3.689700      0.6254000    
 H   -2.102000       2.619500       2.014000    
 H   -2.326100       1.819800      -1.720100    
 H   -3.582100       2.999200      -1.379200    
 H   -3.136800     -0.7562000      -2.074400    
 H   -5.315300       1.287900      -1.420900    
 H   -4.375200       1.185100      -2.888800    
 H   0.4210000       3.239600       1.982100    
 H  -2.2500001E-02   4.301000      0.6412000    
 H    2.439000       3.625100      0.7024000    
 H    1.609500       3.378000     -0.8424000    
 H    1.215900      -1.478100      0.6451000    
 H   -4.913200      -2.139200      -1.919600    
 H    4.760300       2.396600     -0.5396000    
 H    3.716100      -2.452800      6.8400003E-02
 H    6.536500      0.7100000     -0.8689000    
 H   -3.097900      -3.669700       3.123700    
 H   -2.145900      -3.942500       1.647200    
 H   -3.901000      -4.342700       1.687200    
 H    6.830500      -3.841600     -0.6212000    
 H    5.175200      -3.590000      -1.161100    
 H    5.620300      -3.465200      0.5990000    


%chk=000158700-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158700

0 1
O -5.116736 -1.199161 -2.106758
O -3.446950 -2.368163 1.637071
O -3.640393 -3.059622 -0.567480
O 6.399403 -1.860983 -0.627827
N -0.711770 2.316059 0.502347
N 1.679484 -0.609544 0.543487
C -2.815935 0.277259 0.653781
C -3.146981 1.766458 0.343325
C -1.359734 -0.065841 0.249868
C -0.367677 0.923972 0.913263
C -3.881615 -0.650754 -0.011632
C -2.067812 2.678396 0.973314
C -3.316156 2.022689 -1.174973
C -4.022399 -0.402231 -1.539554
C -4.356456 1.071770 -1.808426
C 1.070348 0.661649 0.547719
C 0.326148 3.311501 0.880011
C 2.003704 1.619446 0.168968
C 1.636467 3.079176 0.090891
C -3.643662 -2.127689 0.279182
C 3.250125 0.926262 -0.094530
C 3.016811 -0.472993 0.149752
C 4.547271 1.332695 -0.508709
C 4.017816 -1.460127 -0.005689
C 5.555184 0.369635 -0.669423
C 5.291783 -1.012396 -0.421663
C -3.279719 -3.791913 2.026680
C 6.198909 -3.290358 -0.403822
H -2.892416 0.131097 1.750804
H -4.113191 2.004770 0.839504
H -1.211307 -0.021880 -0.843323
H -1.126109 -1.098612 0.580085
H -0.492158 0.816908 2.030239
H -4.864098 -0.403449 0.446092
H -2.262355 3.730052 0.689785
H -2.141865 2.615283 2.092380
H -2.334712 1.917241 -1.673891
H -3.633946 3.072032 -1.331825
H -3.065875 -0.670774 -2.037951
H -5.366734 1.272197 -1.398028
H -4.417327 1.226257 -2.900976
H 0.546855 3.273234 1.977933
H -0.075877 4.317049 0.657470
H 2.436546 3.718640 0.513886
H 1.491476 3.392230 -0.962196
H 1.213229 -1.487602 0.758609
H -4.850273 -2.154510 -2.022200
H 4.765455 2.388120 -0.705751
H 3.808879 -2.516821 0.185873
H 6.564514 0.646376 -0.988371
H -3.121069 -3.767004 3.113614
H -2.415260 -4.233886 1.503677
H -4.187068 -4.363041 1.768956
H 7.171249 -3.757605 -0.619989
H 5.428378 -3.702878 -1.085790
H 5.911200 -3.499516 0.646213


