%chk=000157235.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157235

0 1
 O   -2.854200       2.235800     -4.8000002E-03
 O   -2.614100      -1.240600     -0.4258000    
 O    3.452400       1.567000     -0.2741000    
 O   0.4162000      -2.854500      0.3846000    
 O   -4.199300      -2.467600      0.7061000    
 N   0.5287000       1.670800      0.2792000    
 N   -1.092300       3.903300      -1.298600    
 N    3.049900      -3.215200     -0.1248000    
 N   -4.263000      -2.246900      -1.581700    
 C  -0.7712000       3.611600      9.9600002E-02
 C  -0.7551000       1.280400      0.5311000    
 C   -1.639300       2.454900      0.6865000    
 C   0.6905000       3.113100      0.2156000    
 C  -0.7835000     -8.9400001E-02  0.5641000    
 C    1.347300      0.6058000      0.1393000    
 C   0.5579000     -0.5171000      0.3115000    
 C   -1.966300     -0.9356000      0.8097000    
 C    2.754200      0.5685000     -0.1283000    
 C    1.102700      -1.850500      0.2311000    
 C    3.350500     -0.8171000     -0.2216000    
 C    2.588800      -1.926600     -5.6200001E-02
 C    4.829600     -0.8271000     -0.5061000    
 C   -3.730500      -2.022800     -0.3362000    
 H  -0.9139000       4.532200      0.6763000    
 H   -1.854600       2.630800       1.746400    
 H    1.325400       3.372300     -0.6360000    
 H    1.155000       3.429900       1.154700    
 H   -2.673700     -0.4033000       1.458300    
 H   -1.688100      -1.863400       1.321000    
 H  -0.5049000       4.666600      -1.631800    
 H   -2.055300       4.229400      -1.365900    
 H   -3.370000       3.058100      5.0200000E-02
 H    5.370100     -0.2991000      0.2870000    
 H    5.034200     -0.3254000      -1.458100    
 H    5.256900      -1.830100     -0.5733000    
 H    2.405400      -3.984300      1.2200000E-02
 H    4.023300      -3.413000     -0.3112000    
 H   -5.097700      -2.809700      -1.706100    
 H   -3.837900      -1.856500      -2.416000    


%chk=000157235-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157235

0 1
O -2.612054 2.398046 -0.756969
O -2.578824 -1.895760 0.123475
O 3.265209 1.530796 -0.828401
O 0.662761 -2.999922 1.021832
O -3.792750 -0.021613 -0.635682
N 0.399195 1.553005 0.003521
N -1.319905 4.746461 -0.285130
N 3.221762 -3.203781 0.290872
N -3.885754 -2.089422 -1.716777
C -0.794505 3.563807 0.384706
C -0.860935 1.155435 0.465644
C -1.797425 2.335306 0.459804
C 0.468283 2.987222 -0.343344
C -0.824848 -0.223649 0.743122
C 1.256683 0.476983 -0.020913
C 0.526382 -0.647220 0.443542
C -1.955847 -1.073675 1.229732
C 2.678156 0.462392 -0.419846
C 1.197789 -1.927381 0.576396
C 3.357481 -0.837277 -0.314314
C 2.664251 -1.954682 0.153235
C 4.813159 -0.923600 -0.715054
C -3.442782 -1.233138 -0.739176
H -0.506805 3.827211 1.419393
H -2.442721 2.381024 1.358946
H 0.379389 3.120652 -1.435058
H 1.417632 3.431630 -0.011851
H -2.754639 -0.465250 1.687165
H -1.609081 -1.859380 1.915923
H -1.763646 5.424830 0.339598
H -1.932913 4.482844 -1.067410
H -3.155889 1.553260 -0.807142
H 5.457051 -1.251634 0.126168
H 5.159013 0.071217 -1.039022
H 4.970443 -1.630106 -1.555150
H 2.614357 -3.943213 0.654176
H 4.192336 -3.391600 0.057038
H -4.538573 -1.742919 -2.414320
H -3.557334 -3.052199 -1.740824


