%chk=000171228.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171228

0 1
 O   -1.354000      0.3597000       1.033900    
 O   -3.363700       2.012000     -0.7128000    
 O   -1.846000      -2.135000      0.7780000    
 O    1.619200       2.719700      0.6504000    
 O    4.524500     -0.7755000     -5.1100001E-02
 N   0.7404000      0.6492000      3.1399999E-02
 N    3.056900      0.9680000      0.2967000    
 N   -4.016500      -1.845600      7.1400002E-02
 C  -0.6223000       1.092200      4.2900000E-02
 C   -1.331600      0.8556000      -1.277700    
 C   -2.774300      0.7223000     -0.8459000    
 C   -2.668300      9.1399997E-02  0.5310000    
 C   -2.784200      -1.397800      0.4851000    
 C   0.9852000     -0.6676000     -0.2998000    
 C    1.778900       1.535300      0.3478000    
 C    2.209400      -1.207200     -0.3478000    
 C    3.375700     -0.3422000     -2.6400000E-02
 C    2.470900      -2.634600     -0.7070000    
 H  -0.6820000       2.151200      0.3189000    
 H   -1.032400     -6.4800002E-02  -1.787300    
 H   -1.158700       1.685400      -1.971200    
 H   -3.374400      0.1636000      -1.568800    
 H   -3.400000      0.4868000       1.244100    
 H   0.1289000      -1.291900     -0.5200000    
 H   -2.875900       2.511700     -3.7000000E-02
 H    3.834100       1.583200      0.5211000    
 H   -4.211300      -2.838300     -6.5000001E-03
 H   -4.777500      -1.213400     -0.1557000    
 H    3.107500      -2.694800      -1.595800    
 H    1.545200      -3.178400     -0.9236000    
 H    2.974100      -3.150400      0.1173000    


%chk=000171228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171228

0 1
O -1.439950 0.413212 0.977777
O -3.509219 2.205597 -0.635565
O -1.861344 -2.039001 -0.603373
O 1.625496 2.754364 0.564926
O 4.609101 -0.806105 0.068892
N 0.754620 0.635329 -0.023807
N 3.069924 0.931090 0.304655
N -3.934435 -2.100263 0.436050
C -0.611734 1.171801 -0.011990
C -1.377137 1.076040 -1.351517
C -2.851701 0.927348 -0.919631
C -2.734539 0.053273 0.369137
C -2.786076 -1.451820 0.037586
C 0.987958 -0.723098 -0.287285
C 1.806985 1.530276 0.307892
C 2.242915 -1.283683 -0.278039
C 3.401192 -0.431500 0.028614
C 2.490745 -2.746269 -0.553872
H -0.507539 2.210164 0.349418
H -1.060974 0.178250 -1.908700
H -1.225966 1.966462 -1.981512
H -3.486860 0.464274 -1.689388
H -3.529109 0.334260 1.083454
H 0.084929 -1.316992 -0.472953
H -2.940501 2.751201 -0.033563
H 3.853598 1.551792 0.531205
H -4.044103 -3.088935 0.207273
H -4.654334 -1.639074 0.990330
H 3.172269 -2.872947 -1.414741
H 1.547140 -3.277037 -0.764039
H 2.986448 -3.228210 0.308366


