%chk=000149611.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149611

0 1
 O   -5.193800      -1.032800      0.4127000    
 O   -3.676300       2.141400      0.8381000    
 O   -1.668400      -3.312100     -0.1257000    
 O   -5.992400      0.9248000       1.167300    
 O    4.304900      -2.411300      -1.306600    
 O    4.403800      -2.647100      0.9519000    
 N  -0.3585000      -1.409200     -3.0800000E-02
 N    1.664400       1.564400      6.8800002E-02
 C   -3.881700       1.003600     -2.9000000E-03
 C   -2.655400      0.1331000      1.2200000E-02
 C  -0.2570000     -2.8500000E-02  1.5000000E-02
 C   0.9780000      -2.038800     -4.6399999E-02
 C   -2.781400      -1.204900     -4.6700001E-02
 C    1.885600     -0.8539000     -5.7000001E-03
 C    1.155200      0.3254000      2.9100001E-02
 C   -1.339500      0.7533000      3.2699998E-02
 C   -1.562100      -2.089300     -7.0400000E-02
 C   -4.214300       1.485500      -1.416800    
 C   -4.123100      -1.851400     -0.1071000    
 C   -5.100300      0.3057000      0.5900000    
 C    3.258000     -0.7748000      1.9999999E-04
 C    3.849500      0.4987000      4.1499998E-02
 C    3.010500       1.648600      7.4800000E-02
 C   -5.431500       2.388000      -1.417900    
 C    4.030000      -2.012400     -3.6400001E-02
 C    5.245700      0.6454000      5.0000001E-02
 C    3.618900       2.898900      0.1149000    
 C    5.822400       1.911800      9.0899996E-02
 C    5.008900       3.037900      0.1234000    
 H    1.081200      -2.623300     -0.9655000    
 H    1.074900      -2.680000      0.8348000    
 H   -1.255300       1.833900      5.4000001E-02
 H   -4.391500      0.6405000      -2.093600    
 H   -3.371700       2.059400      -1.823300    
 H   -4.376600      -2.125400      -1.136500    
 H   -4.132100      -2.765800      0.4953000    
 H   -6.352800       1.840600      -1.198800    
 H   -5.338000       3.220600     -0.7143000    
 H   -5.559500       2.823100      -2.415600    
 H   -3.409700       1.826300       1.719100    
 H    5.910800     -0.2143000      2.5599999E-02
 H    3.006300       3.798300      0.1410000    
 H    6.902900       2.019000      9.7400002E-02
 H    5.453400       4.028500      0.1552000    
 H    4.823600      -3.243700      -1.323900    


%chk=000149611-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149611

0 1
O -5.059550 -1.040809 0.657630
O -3.623054 2.370819 0.680674
O -1.571420 -3.255863 -0.440184
O -5.675130 0.915529 1.671448
O 3.376404 -3.206228 -0.410020
O 5.441124 -2.183591 -0.284326
N -0.312810 -1.291027 -0.204137
N 1.791495 1.597308 0.173165
C -3.869312 1.089977 0.031473
C -2.582235 0.271488 -0.018196
C -0.185824 0.086374 -0.028382
C 0.997014 -1.991443 -0.280635
C -2.706342 -1.110452 -0.180886
C 1.986140 -0.853926 -0.131726
C 1.252003 0.380569 0.017411
C -1.304168 0.902276 0.071544
C -1.545095 -1.989417 -0.286242
C -4.394439 1.349755 -1.424565
C -4.066893 -1.753047 -0.215391
C -4.936210 0.321331 0.854647
C 3.387878 -0.819687 -0.119015
C 4.032055 0.478485 0.047629
C 3.177595 1.654823 0.190611
C -5.717490 2.137204 -1.474890
C 4.192174 -2.070093 -0.271405
C 5.450600 0.679003 0.082114
C 3.761808 2.950584 0.359161
C 5.989448 1.959426 0.248965
C 5.147319 3.105175 0.389032
H 1.087898 -2.537212 -1.235332
H 1.072169 -2.753040 0.514652
H -1.211856 1.975778 0.234365
H -4.494724 0.389799 -1.966478
H -3.595397 1.923421 -1.930805
H -4.501177 -1.788134 -1.232864
H -4.024170 -2.780125 0.177961
H -6.552111 1.580575 -1.012007
H -5.615746 3.102558 -0.950285
H -5.992291 2.347362 -2.523811
H -4.354467 2.505447 1.347058
H 6.109439 -0.184120 -0.024512
H 3.075930 3.796318 0.462137
H 7.077553 2.083588 0.272374
H 5.591334 4.097616 0.518997
H 3.960535 -4.006676 -0.505949


