%chk=000176842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176842

0 1
 O   -1.242800      -1.240100     -0.5231000    
 O    3.626800      0.3338000      0.4355000    
 O   -3.214500      -2.140300      0.2367000    
 N   -3.180600     -0.2764000      -1.146100    
 N   -1.039900      -2.094200       2.761800    
 C   -5.117700      0.8703000     -0.1487000    
 C   -4.597300     -5.7300001E-02  -1.241800    
 C   -4.486100       2.262900     -0.2094000    
 C   0.9599000      -2.091100     -9.7599998E-02
 C  -0.5154000      -2.247400      0.1890000    
 C   -5.067300       3.182800      0.8530000    
 C    1.610700     -0.9376000      0.3080000    
 C    2.972800     -0.7937000      4.3800000E-02
 C    1.632600      -3.104700     -0.7599000    
 C   -2.603800      -1.299500     -0.4150000    
 C    3.664600      -1.805200     -0.6224000    
 C    2.994600      -2.960700      -1.024100    
 C    3.012100       1.551100      0.1947000    
 C  -0.8068000      -2.160800       1.626800    
 C    2.433500       1.781000      -1.040300    
 C    2.992700       2.505700       1.195400    
 C    1.814300       3.007100      -1.282900    
 C    2.373400       3.731800      0.9528000    
 C    1.784200       3.982600     -0.2864000    
 H   -4.922500      0.4264000      0.8354000    
 H   -6.206100      0.9580000     -0.2514000    
 H   -4.797200      0.3666000      -2.231600    
 H   -5.111500      -1.022600      -1.178700    
 H   -4.654700       2.704900      -1.198300    
 H   -3.402100       2.196900     -6.3000001E-02
 H  -0.8502000      -3.224800     -0.1839000    
 H   -2.562300      0.3590000      -1.641400    
 H   -4.888800       2.784400       1.856900    
 H   -4.603200       4.172200      0.7927000    
 H   -6.146700       3.305400      0.7183000    
 H    1.063600     -0.1641000      0.8408000    
 H    1.123000      -4.009400      -1.078600    
 H    4.725500      -1.698400     -0.8315000    
 H    3.533400      -3.748200      -1.542900    
 H    2.463900       1.047200      -1.840400    
 H    3.450500       2.311700       2.160600    
 H    1.359900       3.204500      -2.249500    
 H    2.350200       4.491300       1.728900    
 H    1.303100       4.937800     -0.4756000    


%chk=000176842-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176842

0 1
O -1.490461 -0.117251 0.506625
O 4.107589 0.022270 -0.512438
O -2.716024 -2.087418 0.016076
N -3.359606 0.032511 -0.781528
N 0.048536 0.318353 3.506916
C -5.882430 -0.105876 -0.694371
C -4.583669 -0.402610 -1.479456
C -6.152511 1.400050 -0.473947
C 0.701550 -1.285831 0.380703
C -0.512485 -0.984258 1.250167
C -7.479634 1.659772 0.271244
C 1.826422 -0.428297 0.368528
C 2.909895 -0.727855 -0.487008
C 0.666831 -2.437016 -0.444899
C -2.565262 -0.842292 -0.092708
C 2.890101 -1.874943 -1.312288
C 1.765369 -2.725681 -1.284285
C 4.114858 1.414699 -0.224018
C -0.200283 -0.256090 2.492585
C 3.112267 2.293975 -0.694762
C 5.243964 1.896700 0.471666
C 3.246049 3.677848 -0.444646
C 5.366062 3.283495 0.709086
C 4.367807 4.178330 0.257004
H -5.842926 -0.627992 0.281529
H -6.728191 -0.549246 -1.258687
H -4.616532 0.097963 -2.466623
H -4.485077 -1.488213 -1.650502
H -6.170616 1.916469 -1.456246
H -5.318808 1.846165 0.105701
H -1.041815 -1.927114 1.493457
H -3.107430 1.021056 -0.751422
H -7.474440 1.176701 1.266009
H -7.654190 2.740658 0.421152
H -8.338547 1.253091 -0.294996
H 1.865020 0.446847 1.025842
H -0.215366 -3.085964 -0.433594
H 3.753768 -2.081889 -1.950992
H 1.746704 -3.616884 -1.920113
H 2.252508 1.908754 -1.252009
H 6.002559 1.185715 0.812022
H 2.473318 4.365142 -0.806307
H 6.239225 3.662622 1.251059
H 4.463700 5.252433 0.447075


