%chk=000174533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174533

0 1
 O  -6.0199998E-02   1.097500      4.4999998E-03
 O   -4.540000       2.369200      0.2714000    
 O   -3.473300      -2.347100      0.1061000    
 O   -2.864800      -4.553600      2.4900001E-02
 N    5.006400     -4.9100000E-02  0.2925000    
 C    4.239400       1.012300     -0.3491000    
 C    2.777300      0.5949000     -0.4979000    
 C    1.956800       1.690300      -1.176800    
 C    6.408900      0.3445000      0.4382000    
 C    4.905100      -1.293100     -0.4726000    
 C   0.4885000       1.302400      -1.292700    
 C   -1.374900      0.7214000      6.5800004E-02
 C   -2.385800       1.699800      0.1417000    
 C   -1.743500     -0.6331000      5.4099999E-02
 C    6.509900       1.633300       1.231200    
 C    5.651500      -2.405600      0.2381000    
 C   -3.713800       1.287500      0.2026000    
 C   -3.091800     -0.9852000      0.1173000    
 C   -4.122300     -4.3900002E-02  0.1936000    
 C   -2.421100       3.119000      0.1761000    
 C  -0.7472000      -1.689900     -2.3399999E-02
 C   -3.748100       3.472700      0.2544000    
 C   -1.120000      -2.971800     -3.3199999E-02
 C   -2.536800      -3.372400      3.2900002E-02
 H    4.234200       1.923900      0.2574000    
 H    4.656500       1.268200      -1.332000    
 H    2.659000     -0.2866000      -1.134000    
 H    2.358600      0.3567000      0.4874000    
 H    2.036100       2.611200     -0.5862000    
 H    2.358800       1.899400      -2.174800    
 H    6.967500     -0.4018000       1.011800    
 H    6.907700      0.4640000     -0.5317000    
 H    3.875800      -1.656500     -0.5200000    
 H    5.274500      -1.183100      -1.499600    
 H   0.3860000      0.3931000      -1.896900    
 H  -5.6800000E-02   2.109900      -1.795800    
 H    7.548800       1.786100       1.546300    
 H    5.899100       1.606000       2.140300    
 H    6.237400       2.514000      0.6410000    
 H    5.372900      -3.371400     -0.1995000    
 H    5.403200      -2.450800       1.304300    
 H    6.737100      -2.321400      0.1273000    
 H   -5.166800     -0.3258000      0.2425000    
 H   -1.582400       3.800200      0.1472000    
 H   0.3059000      -1.437700     -6.5300003E-02
 H   -4.266300       4.419200      0.3035000    
 H  -0.3795000      -3.762500     -8.7499999E-02


%chk=000174533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174533

0 1
O -0.051528 1.017653 0.223324
O -4.462943 1.296912 -1.748237
O -3.595659 -1.838886 1.856534
O -3.197334 -3.331942 3.571804
N 5.145544 -0.121785 -0.417899
C 4.320407 1.079784 -0.132497
C 2.845550 0.907194 -0.554844
C 2.012864 2.178651 -0.279127
C 6.288839 -0.274124 0.524015
C 5.563186 -0.198883 -1.844969
C 0.539486 2.045749 -0.664320
C -1.388489 0.650435 0.093633
C -2.329186 1.188017 -0.824472
C -1.809877 -0.373797 1.002323
C 5.858947 -0.792246 1.909792
C 5.862158 -1.637846 -2.307631
C -3.664576 0.659876 -0.782133
C -3.166437 -0.841312 0.975851
C -4.127641 -0.335838 0.081496
C -2.343432 2.200161 -1.881506
C -0.911156 -0.971089 1.963830
C -3.616793 2.231394 -2.397570
C -1.332493 -1.954739 2.832013
C -2.702943 -2.455143 2.839331
H 4.348004 1.268212 0.957283
H 4.745212 1.996812 -0.620034
H 2.785823 0.657512 -1.633646
H 2.420158 0.046952 -0.008042
H 2.076453 2.450851 0.792894
H 2.430759 3.033927 -0.849815
H 6.993689 -1.002490 0.083833
H 6.856359 0.685401 0.635510
H 4.736391 0.200602 -2.460980
H 6.449450 0.456970 -2.045263
H 0.430869 1.717915 -1.717334
H -0.000267 3.000735 -0.512478
H 6.740441 -0.919906 2.565681
H 5.348313 -1.765300 1.806977
H 5.165350 -0.096252 2.415896
H 6.134227 -1.651704 -3.379698
H 4.973785 -2.275320 -2.157223
H 6.700467 -2.087037 -1.745243
H -5.153749 -0.704785 0.077270
H -1.527087 2.828743 -2.222980
H 0.124010 -0.619365 1.986176
H -4.089880 2.814246 -3.182681
H -0.657772 -2.410615 3.560557


