%chk=000178062.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178062

0 1
 O    1.729500      -2.340000     -0.5467000    
 O    2.232400       2.296800     -0.3826000    
 O   -5.009700      -1.713600      0.3533000    
 O   -4.871900      0.4756000      0.4406000    
 N    2.033500     -2.5900001E-02 -0.5386000    
 N    5.648300     -0.4435000      0.2511000    
 N   -4.345800     -0.6531000      0.3155000    
 C  -0.7232000      0.2607000     -0.1242000    
 C  -0.1868000      -1.027500     -0.2582000    
 C   7.9800002E-02   1.408800     -0.1736000    
 C   -2.119800      0.4065000      6.9700003E-02
 C    3.459500     -0.1725000     -0.8103000    
 C    1.267900      -1.203900     -0.4620000    
 C    1.540300       1.281100     -0.3752000    
 C   -2.934700     -0.7343000      0.1229000    
 C   -1.013500      -2.156700     -0.2019000    
 C    4.223600     -0.2689000      0.5040000    
 C  -0.4846000       2.683100     -3.4000002E-02
 C   -2.669900       1.689900      0.2069000    
 C   -2.384000      -2.006900     -1.2000000E-02
 C   -1.856600       2.819800      0.1553000    
 C    6.385700     -0.5755000       1.499900    
 H    3.809600      0.6878000      -1.393400    
 H    3.628400      -1.069800      -1.417800    
 H  -0.6085000      -3.159900     -0.3050000    
 H    3.841500      -1.117600       1.084900    
 H    4.053500      0.6356000       1.101400    
 H   0.1270000       3.580600     -7.1000002E-02
 H   -3.688300       1.997900      0.3580000    
 H   -2.984000      -2.912800      2.4100000E-02
 H   -2.289600       3.810700      0.2626000    
 H    6.004600      0.3571000     -0.2703000    
 H    6.052500      -1.450700       2.067200    
 H    6.281700      0.3177000       2.124600    
 H    7.449500     -0.7112000       1.282000    


%chk=000178062-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178062

0 1
O 1.798220 -2.302142 -0.511873
O 2.284058 2.338501 -0.517061
O -5.067181 -1.920984 0.407262
O -5.130210 0.345209 0.465117
N 2.034408 0.019471 -0.554466
N 5.704371 -0.271655 0.326826
N -4.485205 -0.768772 0.351307
C -0.801032 0.316125 -0.140399
C -0.212225 -0.985451 -0.239395
C 0.041752 1.471911 -0.238623
C -2.232510 0.473869 0.059756
C 3.500874 -0.132347 -0.756772
C 1.257949 -1.159237 -0.441800
C 1.512515 1.337595 -0.441503
C -3.004131 -0.747103 0.147118
C -1.010346 -2.133662 -0.146844
C 4.256398 -0.255206 0.587586
C -0.503940 2.758452 -0.141780
C -2.752068 1.810781 0.151461
C -2.405329 -2.012746 0.045598
C -1.901474 2.918470 0.052340
C 6.544395 -0.725154 1.450433
H 3.846811 0.759629 -1.304903
H 3.676242 -1.037724 -1.356762
H -0.531794 -3.114112 -0.226150
H 3.980619 -1.211656 1.069183
H 3.932757 0.570650 1.267617
H 0.167841 3.618979 -0.219541
H -3.821261 1.953228 0.300064
H -3.041852 -2.897394 0.119337
H -2.325111 3.925018 0.126047
H 6.031389 0.617014 -0.073796
H 6.297557 -1.774957 1.693493
H 6.428117 -0.125467 2.385621
H 7.607299 -0.693734 1.152699


