%chk=000162172.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162172

0 1
 O    1.133300     -0.5999000       2.218800    
 O   0.1781000      -2.780300     -0.7210000    
 N  -0.1956000     -0.4985000     -0.2430000    
 N    3.257900       1.688000      -1.264500    
 C    1.198400     -9.9299997E-02 -0.1201000    
 C    1.919000     -0.3825000      -1.452900    
 C    1.269400       1.412600      0.1779000    
 C    3.309800      0.2500000      -1.523600    
 C    2.684100       1.978700      4.8300002E-02
 C    1.826600     -0.9090000       1.026400    
 C   -1.229700      0.5096000     -5.5300001E-02
 C  -0.5892000      -1.831700     -0.5388000    
 C   -2.092900      -2.053500     -0.6740000    
 C   -1.713500      0.6975000       1.207500    
 C   -1.649700       1.202500      -1.154300    
 C    1.656200      -1.312400       3.335300    
 C   -2.450700      -3.501100     -0.9755000    
 C   -2.704000       1.663100       1.387100    
 C   -2.640300       2.168000     -0.9746000    
 C   -3.167400       2.398200      0.2961000    
 H    1.317100      5.7999999E-03  -2.286800    
 H    2.026200      -1.458000      -1.632600    
 H   0.8953000       1.664200       1.177300    
 H   0.6838000       1.995700     -0.5418000    
 H    3.997900     -0.2384000     -0.8241000    
 H    3.719900      9.0899996E-02  -2.527200    
 H    2.645500       3.066300      0.1788000    
 H    3.333900       1.593000      0.8422000    
 H    2.882800     -0.6486000       1.157000    
 H    1.788700      -1.988300      0.8484000    
 H    4.200500       2.073500      -1.313400    
 H   -2.479500      -1.433100      -1.488300    
 H   -2.588900      -1.774200      0.2605000    
 H   -1.368000      0.1216000       2.058400    
 H   -1.241500       1.023200      -2.143600    
 H    1.554700      -2.391100       3.182100    
 H    1.082000      -1.029600       4.221500    
 H    2.705800      -1.050000       3.499400    
 H   -3.535900      -3.615500      -1.058600    
 H   -2.096600      -4.167300     -0.1818000    
 H   -1.999900      -3.830000      -1.917700    
 H   -3.116600       1.840300       2.376100    
 H   -3.001400       2.740000      -1.824200    
 H   -3.939200       3.149400      0.4359000    


%chk=000162172-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162172

0 1
O 1.127684 -0.547639 2.247638
O 0.271084 -2.685808 -0.811219
N -0.238318 -0.447113 -0.343052
N 3.414936 1.648906 -1.206450
C 1.231852 -0.065237 -0.160029
C 1.992627 -0.355926 -1.493843
C 1.349765 1.455563 0.148885
C 3.431660 0.202687 -1.509573
C 2.813887 1.945845 0.110382
C 1.822050 -0.905299 1.000062
C -1.278062 0.539843 -0.100596
C -0.596678 -1.768833 -0.640427
C -2.100402 -2.078012 -0.746678
C -1.662062 0.856590 1.225227
C -1.911796 1.182198 -1.191618
C 1.572716 -1.376203 3.365583
C -2.368049 -3.582712 -0.929218
C -2.682385 1.806962 1.453549
C -2.933621 2.130668 -0.959702
C -3.322544 2.444141 0.363958
H 1.424559 0.134888 -2.306638
H 2.000457 -1.440822 -1.689386
H 0.919926 1.678036 1.139738
H 0.783037 2.022461 -0.611227
H 4.068666 -0.382111 -0.797307
H 3.858735 0.054109 -2.518868
H 2.820954 3.040485 0.266699
H 3.382709 1.491969 0.961603
H 2.905972 -0.688578 1.108856
H 1.691442 -1.982239 0.782612
H 4.331369 2.095391 -1.336487
H -2.527913 -1.508773 -1.595044
H -2.618613 -1.694227 0.152942
H -1.138924 0.361058 2.050124
H -1.595444 0.939643 -2.212519
H 1.381505 -2.452911 3.172523
H 0.995778 -1.052332 4.246957
H 2.656914 -1.238279 3.567123
H -3.453214 -3.767495 -1.030726
H -1.990626 -4.160082 -0.067916
H -1.854840 -3.968131 -1.826077
H -2.976440 2.051199 2.480750
H -3.420104 2.625501 -1.807796
H -4.113848 3.180422 0.544485


