%chk=000037211.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037211

0 1
 O    8.129200     -0.4149000      0.6225000    
 O    1.780600      0.1462000     -0.1946000    
 O   -1.523700       1.529500     -0.1446000    
 O   -5.802900      -1.861500      0.1781000    
 O   -6.297400      0.9306000      5.6800000E-02
 O    1.142300       2.356100     -0.2822000    
 N    5.448800     -0.3718000     -0.3340000    
 C    5.871900      0.4550000      0.8047000    
 C    6.271100      -1.587600     -0.4065000    
 C    4.030700     -0.7099000     -0.2312000    
 C    7.356700      0.7848000      0.6814000    
 C    7.746700      -1.210200     -0.5003000    
 C    3.157800      0.5315000     -0.2623000    
 C   -2.396500     -0.5504000     -9.8999999E-03
 C   -2.679900      0.8115000     -6.7299999E-02
 C  -0.5015000      0.6351000     -0.1373000    
 C  -0.9806000     -0.6517000     -5.6100000E-02
 C   0.8261000       1.142600     -0.2106000    
 C   -3.464700      -1.462000      7.3899999E-02
 C   -3.966500       1.349700     -4.7699999E-02
 C   -4.768800     -0.9523000      9.5600002E-02
 C   -5.012500      0.4278000      3.5700001E-02
 C   -7.067100      -1.320200      0.1963000    
 C   -7.299500     -7.7999998E-03  0.1395000    
 H    5.689900     -7.1500003E-02   1.750500    
 H    5.347700       1.413800      0.8357000    
 H    5.999400      -2.179300      -1.288100    
 H    6.109800      -2.209400      0.4838000    
 H    3.737400      -1.352200      -1.071900    
 H    3.815900      -1.290000      0.6764000    
 H    7.687700       1.349700       1.558800    
 H    7.563800       1.397400     -0.2047000    
 H    7.967100     -0.6657000      -1.426600    
 H    8.363800      -2.114300     -0.4931000    
 H    3.324500       1.095500      -1.187800    
 H    3.341100       1.183500      0.5961000    
 H  -0.3916000      -1.558200     -3.2400001E-02
 H   -3.282800      -2.531500      0.1205000    
 H   -4.138600       2.418500     -9.4599999E-02
 H   -7.831500      -2.079300      0.2615000    
 H   -8.278700      0.4458000      0.1521000    


%chk=000037211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037211

0 1
O 8.287257 -0.462183 0.584029
O 1.780191 0.166568 -0.342371
O -1.573507 1.619859 -0.262051
O -5.854780 -1.927270 0.250602
O -6.406687 0.935397 0.084660
O 1.163038 2.426003 -0.499626
N 5.480165 -0.372649 -0.164924
C 5.984310 0.348554 1.034797
C 6.311457 -1.576925 -0.426000
C 4.031286 -0.672288 -0.098566
C 7.460470 0.729153 0.836775
C 7.782545 -1.167225 -0.606169
C 3.209361 0.569984 -0.463858
C -2.432765 -0.529752 -0.059110
C -2.744558 0.861678 -0.137449
C -0.509032 0.675198 -0.260180
C -0.994585 -0.621787 -0.139475
C 0.849048 1.218699 -0.381219
C -3.496128 -1.464633 0.071802
C -4.049777 1.376580 -0.092756
C -4.802206 -0.972859 0.118149
C -5.079513 0.434377 0.036877
C -7.162025 -1.378290 0.298389
C -7.421024 -0.052826 0.221866
H 5.887723 -0.283205 1.953956
H 5.393012 1.269240 1.192033
H 5.952270 -2.068090 -1.350036
H 6.241269 -2.316705 0.410874
H 3.802888 -1.470727 -0.827998
H 3.713511 -1.043793 0.905960
H 7.877332 1.189977 1.747377
H 7.549920 1.436244 -0.015810
H 7.878367 -0.511779 -1.498677
H 8.430352 -2.051697 -0.722896
H 3.409137 0.890641 -1.501009
H 3.395593 1.425609 0.208947
H -0.377202 -1.516256 -0.114195
H -3.327062 -2.542399 0.137086
H -4.272542 2.443477 -0.153486
H -7.925793 -2.146546 0.403087
H -8.416115 0.385545 0.256696


