%chk=000036128.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036128

0 1
 O    3.105400      0.1554000       1.119700    
 N   -1.519200     -0.1794000      0.2198000    
 N    2.774200      0.3161000      -1.086900    
 N    4.123000      0.1025000     -0.8718000    
 C  -0.1443000     -0.4772000     -0.1808000    
 C   -1.892700       1.179800     -0.1963000    
 C   -2.444000      -1.177700     -0.3350000    
 C   -3.311600       1.525400      0.2581000    
 C   -3.881000     -0.9092000      0.1150000    
 C   -4.321600      0.5034000     -0.2512000    
 C   0.8134000      0.5331000      0.4769000    
 C   0.1686000      -1.921400      0.2108000    
 C    2.259800      0.3340000      9.2000000E-02
 C    4.270100      1.5200000E-02  0.4296000    
 H  -3.5500001E-02 -0.3982000      -1.272200    
 H   -1.812500       1.297100      -1.284900    
 H   -1.270100       1.946200      0.2701000    
 H   -2.231700      -2.188300      2.5800001E-02
 H   -2.396500      -1.194900      -1.431800    
 H   -3.349500       1.560300       1.354600    
 H   -3.584400       2.523700     -0.1028000    
 H   -4.557100      -1.637300     -0.3475000    
 H   -3.958700      -1.045500       1.201400    
 H   -5.311600      0.7100000      0.1700000    
 H   -4.410200      0.5882000      -1.341200    
 H   0.7158000      0.4937000       1.569600    
 H   0.6117000       1.562900      0.1692000    
 H  -0.2956000      -2.650300     -0.4619000    
 H  -0.1277000      -2.142300       1.243000    
 H    1.243500      -2.123200      0.1442000    
 H    5.168900     -0.1488000       1.003300    


%chk=000036128-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036128

0 1
O 3.207231 -0.147008 1.231767
N -1.536161 -0.144244 0.099222
N 2.784428 0.784020 -0.810142
N 4.213309 0.533917 -0.701358
C -0.111224 -0.460209 -0.222328
C -1.964653 1.140952 -0.521408
C -2.532994 -1.211599 -0.181465
C -3.328918 1.606320 0.023767
C -3.919933 -0.823515 0.377018
C -4.402503 0.520897 -0.209340
C 0.795803 0.382285 0.741627
C 0.247639 -1.952656 -0.081616
C 2.230160 0.378196 0.331811
C 4.399754 -0.001365 0.496825
H 0.132995 -0.146134 -1.266991
H -2.031057 1.034493 -1.636364
H -1.201384 1.914999 -0.322604
H -2.204657 -2.150487 0.292909
H -2.628039 -1.405361 -1.283164
H -3.231358 1.806482 1.108304
H -3.615944 2.554715 -0.469846
H -4.640738 -1.632402 0.148490
H -3.844851 -0.740985 1.478803
H -5.366312 0.820139 0.243887
H -4.578238 0.405969 -1.299190
H 0.700015 -0.021167 1.763571
H 0.434494 1.425274 0.762514
H -0.282687 -2.578410 -0.819016
H 0.016887 -2.326900 0.932851
H 1.330078 -2.087512 -0.255867
H 5.327758 -0.325404 0.956134


