%chk=000178149.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178149

0 1
 O   -2.365200     -0.2505000       1.007300    
 O   -3.388200      -1.163800     -0.8916000    
 O  -0.3847000      -1.509700     -0.1893000    
 O    2.496200       3.118900      0.6623000    
 O  -0.9210000       3.576100      -1.954700    
 O   -5.689700      -3.662500       1.477100    
 O   -4.200700      -3.917900     -0.8790000    
 O    1.794500      -2.736200     -0.3589000    
 O    4.593900       1.745300      0.4305000    
 N   -2.373100       4.580300      0.8462000    
 C   -1.747500       3.381900      0.2842000    
 C   -2.466500       2.135300      0.8011000    
 C   -1.851300      0.8436000      0.2483000    
 C  -0.2676000       3.346300      0.6907000    
 C  -0.3394000      0.8286000      0.2776000    
 C   0.4012000       2.011300      0.4504000    
 C   -3.586100     -0.7327000      0.4553000    
 C   -1.898400       3.512900      -1.210600    
 C   0.3458000     -0.3797000      5.6899998E-02
 C    1.805600       1.957200      0.4517000    
 C   -4.063200      -1.898300       1.317500    
 C    1.745300     -0.4224000      4.8200000E-02
 C    2.475200      0.7457000      0.2503000    
 C   -5.333500      -2.505000      0.7329000    
 C   -5.140100      -2.850300     -0.7439000    
 C   -4.589200      -1.647100      -1.502400    
 C   -3.303400       3.559800      -1.747400    
 C    2.436100      -1.709000     -0.1768000    
 C    3.952200      0.7178000      0.2500000    
 C    3.913000      -1.739100     -0.1780000    
 C    4.644700     -0.5680000      2.8800000E-02
 C    4.580500      -2.951700     -0.3878000    
 C    6.044100     -0.6091000      2.6100000E-02
 C    5.975100      -2.988400     -0.3897000    
 C    6.705300      -1.819700     -0.1832000    
 H   -3.540300       2.162900      0.5794000    
 H   -2.411500       2.109200       1.900100    
 H   -2.120900      0.7646000     -0.8132000    
 H  -0.1795000       3.553100       1.767100    
 H   0.2685000       4.144600      0.1602000    
 H   -4.335900      6.7800000E-02  0.4741000    
 H   -1.838100       5.408300      0.5849000    
 H   -2.346300       4.541000       1.864700    
 H   -4.235300      -1.568800       2.349600    
 H   -3.275800      -2.659700       1.394600    
 H   -6.155100      -1.785900      0.8324000    
 H   -6.080300      -3.197900      -1.183400    
 H   -4.330300      -1.930700      -2.527700    
 H   -5.321800     -0.8333000      -1.548300    
 H   -3.765600       2.572000      -1.687200    
 H   -3.912200       4.296600      -1.219800    
 H   -3.269200       3.854500      -2.801100    
 H   -1.287200      -1.285200     -0.4601000    
 H    1.989100       3.715200       1.235900    
 H   -4.986800      -4.323200       1.353200    
 H   -3.318400      -3.581600     -0.6483000    
 H    4.034100      -3.876700     -0.5509000    
 H    6.636200      0.2882000      0.1845000    
 H    6.492500      -3.929600     -0.5524000    
 H    7.791100      -1.851100     -0.1853000    


%chk=000178149-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178149

0 1
O -2.562852 -0.015227 0.970920
O -3.189950 -1.384393 -0.799384
O -0.549618 -1.244217 -0.809582
O 2.508671 2.997196 1.176773
O -0.514288 4.331442 -1.674986
O -5.584630 -3.733411 1.777621
O -3.562408 -4.257021 -0.106076
O 1.527352 -2.819596 -0.469359
O 4.573194 1.408044 1.184294
N -2.415821 4.845009 0.881337
C -1.717204 3.653505 0.353367
C -2.576940 2.413873 0.672789
C -1.993827 1.104136 0.120494
C -0.309666 3.433813 0.967460
C -0.480222 0.995645 0.199306
C 0.308093 2.079853 0.636045
C -3.699074 -0.681565 0.424198
C -1.606028 3.943459 -1.184648
C 0.149835 -0.232630 -0.199521
C 1.723823 1.924565 0.746953
C -4.209944 -1.695018 1.449668
C 1.556742 -0.414861 -0.020466
C 2.359749 0.684364 0.455168
C -5.221567 -2.689158 0.823648
C -4.651736 -3.332080 -0.468145
C -4.185633 -2.256966 -1.458046
C -2.870278 3.832990 -2.021124
C 2.188209 -1.745751 -0.304019
C 3.844202 0.536210 0.615220
C 3.684225 -1.797042 -0.368510
C 4.475794 -0.704973 0.067447
C 4.311836 -2.977502 -0.840961
C 5.890324 -0.797899 0.027399
C 5.716289 -3.059165 -0.895657
C 6.508879 -1.964716 -0.460061
H -3.609861 2.561297 0.310586
H -2.622019 2.311641 1.775290
H -2.332383 0.923673 -0.921157
H -0.389646 3.566116 2.065429
H 0.325920 4.253716 0.570468
H -4.491807 0.020483 0.074771
H -1.886591 5.719870 0.812087
H -2.858432 4.716071 1.796428
H -4.682166 -1.169739 2.296951
H -3.338497 -2.248332 1.846556
H -6.171543 -2.174233 0.585989
H -5.423804 -3.972027 -0.928831
H -3.660888 -2.698576 -2.319897
H -5.039233 -1.645285 -1.816204
H -3.101926 2.770301 -2.230610
H -3.724944 4.270948 -1.479007
H -2.722915 4.347792 -2.983028
H -1.558329 -1.193504 -0.792585
H 1.970282 3.829919 1.202650
H -4.848630 -4.404344 1.754263
H -2.704671 -3.758183 -0.051778
H 3.673940 -3.810367 -1.152500
H 6.473116 0.055312 0.388231
H 6.198724 -3.968303 -1.271086
H 7.601668 -2.030959 -0.499482


