%chk=000109522.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109522

0 1
 O   -2.997300      0.5771000     -0.8587000    
 O    1.319400     -0.4023000       2.421700    
 O   -2.058600      -2.016200      -1.361500    
 O   -3.315600       1.075400       1.371100    
 N   0.1256000       1.212200      0.4515000    
 N    4.002600      0.4708000      -2.372600    
 C  -0.5303000       2.048200     -0.5275000    
 C   -1.906000       2.480000     -3.2200001E-02
 C    1.367000      0.6295000      0.2559000    
 C    1.964600     -0.1799000       1.241900    
 C    2.067600      0.8343000     -0.9484000    
 C    3.317700      0.2525000      -1.159100    
 C   -2.816700       1.311400      0.2795000    
 C    3.214700     -0.7617000       1.031200    
 C    3.891300     -0.5454000     -0.1693000    
 C   -3.852300     -0.5632000     -0.7270000    
 C   -3.015500      -1.766900     -0.3389000    
 C   0.4514000      -1.531900       2.482000    
 C   -1.229300      -3.123900      -1.039500    
 H  -0.6444000       1.505400      -1.473500    
 H   6.7900002E-02   2.946700     -0.7188000    
 H   -1.802700       3.070900      0.8862000    
 H   -2.403400       3.118700     -0.7705000    
 H  -0.3154000       1.075500       1.354400    
 H    1.651400       1.452400      -1.740600    
 H    3.668000      -1.383800       1.798200    
 H    4.864900      -1.004300     -0.3212000    
 H   -4.308500     -0.7235000      -1.709800    
 H   -4.662500     -0.3842000     -1.1400000E-02
 H   -2.492100      -1.577000      0.6040000    
 H   -3.662200      -2.643300     -0.2204000    
 H    3.588000       1.048500      -3.091700    
 H    4.908700      4.8300002E-02  -2.525300    
 H   0.9816000      -2.447000       2.199300    
 H  -0.4138000      -1.381400       1.831300    
 H   9.7800002E-02  -1.637200       3.511300    
 H  -0.6611000      -2.927100     -0.1262000    
 H  -0.5239000      -3.275200      -1.861100    
 H   -1.828900      -4.031800     -0.9227000    


%chk=000109522-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109522

0 1
O -3.018154 0.591496 -0.770269
O 1.302881 0.170642 2.710652
O -1.630628 -1.794446 -1.992630
O -2.974658 0.585654 1.565569
N 0.126637 1.549014 0.674018
N 3.133989 -0.592232 -2.592930
C -0.662673 2.359422 -0.246314
C -2.109547 2.528581 0.293623
C 1.166495 0.688544 0.323894
C 1.773185 -0.066566 1.380906
C 1.645888 0.511847 -0.999628
C 2.693098 -0.411808 -1.274987
C -2.750348 1.162967 0.475408
C 2.821655 -0.957089 1.109658
C 3.288091 -1.148075 -0.210806
C -3.473067 -0.827180 -0.764079
C -2.291547 -1.788851 -0.689273
C 0.336232 -0.840621 3.193711
C -0.405590 -2.597278 -1.981873
H -0.717114 1.851465 -1.225200
H -0.223508 3.368018 -0.412825
H -2.105548 3.042804 1.270149
H -2.692894 3.129741 -0.425509
H 0.005200 1.682431 1.681579
H 1.211693 1.086601 -1.825051
H 3.281128 -1.499595 1.943937
H 4.108491 -1.845731 -0.413491
H -4.005714 -0.947450 -1.719604
H -4.150312 -0.982164 0.094217
H -1.588894 -1.479526 0.114174
H -2.671756 -2.807724 -0.442924
H 2.742834 -0.043387 -3.352231
H 3.923239 -1.198097 -2.794185
H 0.787386 -1.851349 3.176064
H -0.587952 -0.832159 2.582468
H 0.096214 -0.557409 4.230801
H 0.336328 -2.191988 -1.264466
H 0.008845 -2.539048 -3.000394
H -0.619907 -3.658855 -1.730558


