%chk=000104010.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104010

0 1
 O   0.8752000      0.6559000     -0.8789000    
 O    1.926500       2.565600     -0.1395000    
 N   -1.720700     -0.4728000     -0.9950000    
 C   -1.256300      0.5015000      -1.971200    
 C   -1.129300      -1.805600      -1.017700    
 C   -2.714100     -0.1472000     -7.0100002E-02
 C  -0.2293000       1.435300      -1.350800    
 C   -1.919800      -2.741800      -1.916200    
 C   -3.163300      -1.098500      0.8570000    
 C   -3.279100       1.136300     -5.3800002E-02
 C   -4.156300     -0.7732000       1.781100    
 C   -4.271900       1.461600      0.8704000    
 C   -4.710500      0.5069000       1.787900    
 C    1.903500       1.336100     -0.2856000    
 C    2.960500      0.4364000      0.1477000    
 C    4.282800      0.8790000      0.1821000    
 C    2.651900     -0.8693000      0.5292000    
 C    5.296500      1.5799999E-02  0.5981000    
 C    3.665600      -1.732300      0.9454000    
 C    4.987900      -1.289800      0.9800000    
 H   -2.080200       1.054300      -2.435800    
 H  -0.7736000     -3.0200001E-02  -2.802300    
 H  -0.1148000      -1.743200      -1.432600    
 H  -0.9749000      -2.230200     -2.0500001E-02
 H  -0.6455000       2.004800     -0.5139000    
 H   0.1295000       2.137600      -2.111900    
 H   -2.941500      -2.883900      -1.550700    
 H   -1.983400      -2.350000      -2.936900    
 H   -1.436400      -3.722800      -1.959700    
 H   -2.787500      -2.115100      0.8956000    
 H   -2.984000       1.922500     -0.7406000    
 H   -4.501400      -1.517000       2.493400    
 H   -4.704600       2.457800      0.8760000    
 H   -5.484300      0.7598000       2.506800    
 H    4.541000       1.892300     -0.1145000    
 H    1.629700      -1.237800      0.5272000    
 H    6.326300      0.3601000      0.6245000    
 H    3.425100      -2.747900       1.246000    
 H    5.777100      -1.961600       1.304700    


%chk=000104010-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104010

0 1
O 1.006495 0.552640 -0.823094
O 2.101944 2.516825 -0.216502
N -1.841432 -0.504275 -0.811818
C -1.227425 0.416664 -1.775601
C -1.280524 -1.867805 -0.726670
C -2.946450 -0.111550 -0.034070
C -0.185368 1.374418 -1.177589
C -2.016734 -2.900038 -1.614414
C -3.618335 -1.040037 0.824689
C -3.444236 1.231405 -0.064965
C -4.720428 -0.639675 1.605525
C -4.554001 1.612586 0.716159
C -5.206477 0.687506 1.562137
C 2.107572 1.265877 -0.331766
C 3.250234 0.374207 0.019946
C 4.437256 0.980375 0.508157
C 3.181528 -1.036785 -0.116220
C 5.546050 0.182311 0.855821
C 4.293515 -1.831590 0.233072
C 5.476518 -1.224912 0.718658
H -2.006151 1.025643 -2.274947
H -0.736618 -0.175349 -2.569691
H -0.218966 -1.808928 -1.025200
H -1.282618 -2.199521 0.328760
H -0.553225 1.874657 -0.265184
H 0.122774 2.146942 -1.907270
H -3.083246 -2.975233 -1.339597
H -1.962447 -2.610194 -2.679710
H -1.558558 -3.901404 -1.507984
H -3.289367 -2.081576 0.879112
H -2.964066 1.991908 -0.687933
H -5.208444 -1.380016 2.250688
H -4.904316 2.650469 0.666335
H -6.065119 0.991086 2.169458
H 4.465926 2.070606 0.606368
H 2.261534 -1.494404 -0.490369
H 6.460794 0.652291 1.232511
H 4.240307 -2.920725 0.128743
H 6.338504 -1.844997 0.989357


