%chk=000158516.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158516

0 1
 O   -3.169200      0.9683000     -5.4499999E-02
 O   -2.578300       3.293500     -6.0899999E-02
 O    5.244000     -0.3472000      0.3454000    
 N    2.956100      3.4600001E-02  9.8999999E-03
 C    1.597100     -0.4723000      0.2511000    
 C   0.4975000      0.5786000      0.1326000    
 C    1.261200      -1.654700     -0.6741000    
 C   0.8288000       1.957100      6.7400001E-02
 C  -0.8540000      0.1360000      0.1025000    
 C    2.274000       2.379200      2.7000001E-02
 C    3.106800       1.313100     -0.6747000    
 C  -0.1035000      -2.208000     -0.3237000    
 C   -1.133500      -1.321400      7.9300001E-02
 C   -1.817600       1.139100      3.4200002E-02
 C  -0.1821000       2.920200      3.2400001E-02
 C   -1.487600       2.480300      1.2600000E-02
 C  -0.3359000      -3.588300     -0.4142000    
 C   -2.366800      -1.885600      0.4454000    
 C    4.066200     -0.6702000      0.4543000    
 C   -3.640600       2.326400     -9.3000002E-02
 C   -1.576300      -4.113700     -6.8700001E-02
 C   -2.586300      -3.264900      0.3698000    
 H    1.590400     -0.8280000       1.292200    
 H    2.021300      -2.437900     -0.5663000    
 H    1.260900      -1.345500      -1.727400    
 H    2.380600       3.326800     -0.5133000    
 H    2.625300       2.530500       1.054700    
 H    2.779100       1.170600      -1.711800    
 H    4.159500       1.613100     -0.6971000    
 H   4.8999999E-02   3.979400     -4.9000001E-03
 H   0.4531000      -4.259500     -0.7432000    
 H   -3.184800      -1.272900      0.8123000    
 H    3.781500      -1.610400      0.9551000    
 H   -4.298100       2.495400      0.7675000    
 H   -4.220900       2.470800      -1.011500    
 H   -1.751800      -5.183400     -0.1309000    
 H   -3.551400      -3.674000      0.6557000    


%chk=000158516-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158516

0 1
O -3.219467 0.959983 0.161139
O -2.656197 3.282799 0.118158
O 5.279507 -0.247124 0.436850
N 2.983997 0.029938 0.002379
C 1.619722 -0.502568 0.219634
C 0.542578 0.580173 0.121377
C 1.266450 -1.670194 -0.737165
C 0.866575 1.958400 0.068103
C -0.822009 0.111753 0.118563
C 2.323530 2.390991 -0.030822
C 3.155778 1.298510 -0.730160
C -0.091170 -2.238480 -0.356047
C -1.116835 -1.342834 0.082801
C -1.803591 1.117414 0.122011
C -0.164511 2.942364 0.052405
C -1.479755 2.489412 0.092886
C -0.353730 -3.623748 -0.426465
C -2.387307 -1.873652 0.438568
C 4.075578 -0.613206 0.557447
C -3.768157 2.321503 -0.073915
C -1.620189 -4.141408 -0.072247
C -2.635770 -3.259815 0.363293
H 1.588019 -0.913418 1.253176
H 2.045758 -2.451080 -0.678113
H 1.256982 -1.291825 -1.780083
H 2.398388 3.339586 -0.594119
H 2.751658 2.575372 0.974062
H 2.824606 1.180600 -1.780273
H 4.234007 1.529238 -0.722667
H 0.069292 4.009105 0.002754
H 0.440654 -4.301991 -0.760712
H -3.179060 -1.198625 0.772258
H 3.781377 -1.512273 1.147592
H -4.553187 2.523037 0.670311
H -4.130864 2.387242 -1.117565
H -1.809623 -5.218922 -0.129641
H -3.619333 -3.651157 0.645428


