%chk=000158026.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158026

0 1
 O   -2.835600       1.298600      -1.228900    
 O   -2.694100      -2.494500      0.1444000    
 O    2.757300       2.529500      0.2718000    
 O    4.516700      -1.881600     -0.3471000    
 O    4.931200      0.8325000      1.7200001E-02
 N   -3.790300     -0.4250000      4.0899999E-02
 C   -6.157600     -0.1310000      0.7950000    
 C   -6.270200       1.054100     -0.1421000    
 C   -5.085300      -1.071400      0.2771000    
 C   -4.934300       1.765100     -0.2128000    
 C   -3.760500      0.8593000     -0.5414000    
 C   -2.664100      -1.264100      0.1503000    
 C   -1.355900     -0.5873000      0.2744000    
 C  -0.2839000      -1.216700     -0.2033000    
 C    1.086500     -0.6782000     -0.1452000    
 C    2.161000      -1.543000     -0.2747000    
 C    1.273500      0.6823000      3.7400000E-02
 C    2.570800       1.192000      9.2000000E-02
 C    3.458300      -1.033200     -0.2199000    
 C    3.663100      0.3342000     -3.6600001E-02
 C    2.860000       2.994600       1.616100    
 C    5.034300      -2.456000      0.8513000    
 C    5.519200       1.239700      -1.216000    
 H   -5.901600      0.2119000       1.804800    
 H   -7.117000     -0.6556000      0.8596000    
 H   -7.044000       1.744100      0.2116000    
 H   -6.567800      0.7139000      -1.141500    
 H   -4.959200      -1.901600      0.9819000    
 H   -5.399000      -1.506400     -0.6804000    
 H   -4.711400       2.246900      0.7469000    
 H   -4.985600       2.553700     -0.9722000    
 H   -1.333700      0.3747000      0.7702000    
 H  -0.3744000      -2.192600     -0.6751000    
 H    2.010100      -2.610300     -0.4173000    
 H   0.4490000       1.384200      0.1186000    
 H    3.712800       2.529900       2.120900    
 H    1.937200       2.784100       2.166000    
 H    3.014500       4.076800       1.593400    
 H    5.390400      -1.675200       1.530700    
 H    5.877300      -3.100000      0.5862000    
 H    4.270500      -3.064800       1.345500    
 H    4.935900       2.044900      -1.673800    
 H    5.595100      0.3927000      -1.905100    
 H    6.526000       1.612400      -1.008700    


%chk=000158026-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158026

0 1
O -3.089325 1.888570 -0.122799
O -2.937960 -2.331149 -0.015906
O 3.001462 2.472909 0.200603
O 4.386242 -2.280720 -0.088636
O 5.119495 0.520750 0.004152
N -4.034311 -0.276473 0.029397
C -6.531376 -0.394006 0.497033
C -6.704302 0.902390 -0.310943
C -5.273130 -1.133723 0.032779
C -5.490903 1.806070 -0.034763
C -4.108017 1.138250 -0.059619
C -2.810961 -1.066154 0.015072
C -1.491713 -0.401329 0.053636
C -0.357380 -1.172859 0.036099
C 1.026603 -0.689983 0.070008
C 2.076116 -1.648408 0.041274
C 1.366136 0.691527 0.149410
C 2.711836 1.088090 0.165791
C 3.432297 -1.258274 0.043410
C 3.765266 0.126628 0.067711
C 3.731947 2.923343 1.408406
C 5.518774 -2.284970 0.864146
C 5.474199 1.291748 -1.217048
H -6.464192 -0.158848 1.577377
H -7.394263 -1.071961 0.361912
H -7.637237 1.429634 -0.040421
H -6.767897 0.660730 -1.390070
H -5.056290 -2.003991 0.671674
H -5.416803 -1.529385 -0.991620
H -5.582080 2.257232 0.974302
H -5.426585 2.653273 -0.739595
H -1.472511 0.688407 0.080947
H -0.495996 -2.262730 -0.009931
H 1.852283 -2.719364 -0.004320
H 0.599344 1.469572 0.202065
H 4.702338 2.403163 1.501558
H 3.118352 2.743688 2.311348
H 3.885420 4.004198 1.269458
H 6.107555 -1.357172 0.781651
H 6.123288 -3.159495 0.579774
H 5.143851 -2.408287 1.898540
H 4.857962 2.204909 -1.288590
H 5.329381 0.660547 -2.112558
H 6.538282 1.547252 -1.100613


