%chk=000063239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063239

0 1
 O   -1.062800       1.582900     -0.6975000    
 O    2.958800     -0.4242000      -2.236200    
 N    2.409600       1.013800     -0.4719000    
 N    3.692000      0.9694000       1.530000    
 N   -3.242500      0.9960000     -0.2308000    
 N  -0.1484000     -0.4457000     -0.9287000    
 N   -1.489900     -0.6123000     -0.6390000    
 C    1.292000       1.599600      -1.210600    
 C    4.273700     -0.5423000     -0.3071000    
 C    2.717600       1.442600      0.8177000    
 C    3.158400      9.8999999E-03  -1.105100    
 C    4.493200     -3.8100000E-02  0.9773000    
 C   2.5900001E-02  0.8326000     -0.9467000    
 C    5.092300      -1.549700     -0.8304000    
 C    1.863900       2.527800       1.430000    
 C    5.548400     -0.5573000       1.736100    
 C    6.139600      -2.057300     -6.2799998E-02
 C    6.368000      -1.561800       1.219100    
 C   -1.983200      0.5974000     -0.5122000    
 C   -4.489700      0.3052000      3.1700000E-02
 C   -6.855600      -1.006300      0.5294000    
 C   -5.615000       1.053000      0.2900000    
 C   -4.496600      -1.070300      1.1800000E-02
 C   -6.814800      0.3879000      0.5424000    
 C   -5.696400      -1.735400      0.2642000    
 C   -8.138400      -1.717400      0.7994000    
 H    1.500200       1.550800      -2.285700    
 H    1.165300       2.656600     -0.9622000    
 H    4.930700      -1.949100      -1.827700    
 H   0.8068000       2.255100       1.404900    
 H    2.016200       3.468200      0.8931000    
 H    2.149000       2.684500       2.475100    
 H    5.738900     -0.1807000       2.738300    
 H    6.777700      -2.839100     -0.4643000    
 H    7.184000      -1.957300       1.816900    
 H   -3.381900       2.004300     -0.1844000    
 H   -5.591900       2.138400      0.3014000    
 H   -3.618500      -1.670800     -0.1904000    
 H   -7.711600      0.9671000      0.7460000    
 H   -5.716300      -2.822000      0.2497000    
 H   -8.776300      -1.138800       1.476100    
 H   -8.680200      -1.883400     -0.1371000    
 H   -7.959800      -2.686300       1.278200    


%chk=000063239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063239

0 1
O -0.651609 1.151201 -0.681423
O 2.509772 1.187458 -2.133301
N 2.408740 1.484194 0.197690
N 3.760693 0.207520 1.725192
N -2.758798 0.104120 -0.751418
N -0.817715 2.320606 1.271173
N -2.063203 1.616098 1.078580
C 1.362591 2.521688 -0.030724
C 3.905156 -0.217060 -0.719104
C 2.866684 1.159253 1.497184
C 2.915804 0.837415 -0.984035
C 4.284623 -0.504690 0.630905
C -0.024561 2.038271 0.245372
C 4.472021 -0.949016 -1.795588
C 2.334887 1.952014 2.667184
C 5.232452 -1.536428 0.878863
C 5.406917 -1.963640 -1.535336
C 5.784657 -2.256213 -0.193095
C -1.916558 0.940565 -0.077640
C -4.076641 -0.284039 -0.368920
C -6.720661 -1.134279 0.289951
C -4.778016 -1.169632 -1.226550
C -4.693106 0.183738 0.818778
C -6.082801 -1.583818 -0.895614
C -6.000904 -0.245343 1.127921
C -8.115311 -1.609926 0.657694
H 1.451831 2.809179 -1.093402
H 1.553433 3.397065 0.607027
H 4.158970 -0.699585 -2.814662
H 1.231677 1.966857 2.710663
H 2.677021 3.004413 2.626984
H 2.732250 1.495887 3.584643
H 5.510224 -1.740835 1.917095
H 5.847125 -2.531073 -2.361947
H 6.514434 -3.049279 0.003935
H -2.391529 -0.280080 -1.624199
H -4.308155 -1.530031 -2.150822
H -4.153726 0.870668 1.476427
H -6.614005 -2.266505 -1.569499
H -6.471609 0.123627 2.047171
H -8.730800 -1.796669 -0.240267
H -8.076741 -2.556717 1.231235
H -8.643114 -0.869479 1.283878


