%chk=000172316.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172316

0 1
 O  -0.8199000      0.9561000       1.412100    
 N    2.681700      -1.280900     -0.5034000    
 N   -4.220600     -0.3958000      0.6549000    
 N   -4.627900       1.504800     -0.4193000    
 C   -1.335700      -1.312100      0.7735000    
 C  -0.5528000      -2.644300      0.7929000    
 C   0.6055000      -2.689900     -0.2160000    
 C    1.386600      -1.432800     -9.9799998E-02
 C   0.9463000     -0.2349000      0.4208000    
 C  -0.4092000     -9.6100003E-02  0.9288000    
 C   -2.171400      -1.149900     -0.4936000    
 C    2.027500      0.6887000      0.3388000    
 C    3.101200      6.3999998E-03 -0.2451000    
 C   -3.286500     -0.1593000     -0.2994000    
 C    3.498500      -2.312700      -1.107600    
 C    2.206600       2.040400      0.6998000    
 C    4.341000      0.6108000     -0.4834000    
 C   -3.494000      0.9918000     -0.9834000    
 C    3.441800       2.656200      0.4667000    
 C    4.491400       1.950400     -0.1158000    
 C   -2.782600       1.665600      -2.080700    
 C   -5.027500      0.6376000      0.5592000    
 H   -1.984000      -1.325900       1.660200    
 H   -1.228400      -3.490100      0.6196000    
 H  -0.1367000      -2.780000       1.801200    
 H   0.2139000      -2.788000      -1.234800    
 H    1.223100      -3.569800     -6.3000000E-03
 H   -2.633200      -2.107800     -0.7647000    
 H   -1.546000     -0.8501000      -1.343100    
 H    4.042500      -2.824100     -0.3098000    
 H    2.862300      -3.016100      -1.649900    
 H    4.193600      -1.860700      -1.819000    
 H    1.400000       2.608200       1.154800    
 H    5.167500      7.0699997E-02 -0.9325000    
 H    3.581500       3.697500      0.7445000    
 H    5.442600       2.447600     -0.2869000    
 H   -5.090200       2.367000     -0.6758000    
 H   -1.737900       1.845700      -1.806900    
 H   -2.796700       1.046300      -2.983400    
 H   -3.234500       2.631500      -2.328400    
 H   -5.907600      0.8161000       1.160500    


%chk=000172316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172316

0 1
O -0.874925 0.926169 1.577942
N 2.621053 -1.320277 -0.598525
N -4.552230 -0.589661 0.113274
N -4.544936 1.564161 -0.550375
C -1.379848 -1.385758 0.892876
C -0.567888 -2.706095 0.977996
C 0.567570 -2.797606 -0.079770
C 1.338571 -1.508002 -0.081670
C 0.868255 -0.290731 0.453358
C -0.465633 -0.153046 1.037771
C -2.190441 -1.292968 -0.452023
C 1.919809 0.697673 0.270815
C 3.002245 0.028117 -0.394399
C -3.287177 -0.265714 -0.424751
C 3.471932 -2.322183 -1.244046
C 2.049273 2.069409 0.597988
C 4.201205 0.683271 -0.741339
C -3.261928 1.070882 -0.846199
C 3.246324 2.733361 0.253903
C 4.307905 2.051347 -0.407021
C -2.179383 1.931577 -1.429807
C -5.283692 0.535048 0.024714
H -2.114826 -1.352229 1.717807
H -1.252960 -3.566736 0.856019
H -0.116934 -2.785201 1.986074
H 0.136903 -2.991085 -1.084201
H 1.220552 -3.661762 0.151778
H -2.654938 -2.282203 -0.628011
H -1.496174 -1.097084 -1.292050
H 4.405541 -2.473508 -0.671414
H 2.938279 -3.282619 -1.304610
H 3.736178 -2.006137 -2.269861
H 1.233163 2.582694 1.114085
H 5.021918 0.163748 -1.247524
H 3.367216 3.793834 0.501712
H 5.224390 2.596641 -0.658891
H -4.862758 2.517827 -0.719018
H -1.770215 2.632616 -0.678437
H -1.338360 1.304489 -1.769398
H -2.533964 2.517972 -2.299002
H -6.317265 0.647868 0.343527


