%chk=000176847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176847

0 1
 O   -1.348200     -0.4800000      8.0000004E-03
 O    3.654800     -0.6348000      -1.425700    
 O   -2.945000      0.1131000       1.548500    
 N   -3.226800      0.5268000     -0.7179000    
 N   4.9100000E-02  0.8913000       2.788000    
 C   -5.686200      0.1605000     -0.7887000    
 C   -7.074600      0.8134000     -0.6464000    
 C   -4.519800       1.151900     -0.6602000    
 C   -5.608100     -0.6105000      -2.111100    
 C   -7.279400       1.529100      0.6812000    
 C   -2.544600      5.8400001E-02  0.3904000    
 C  -0.5347000      -1.006100       1.062600    
 C   0.7060000      -1.631400      0.4684000    
 C    1.610700     -0.8306000     -0.2089000    
 C   0.9143000      -2.993000      0.6133000    
 C    2.756200      -1.407800     -0.7569000    
 C    2.059700      -3.570100      6.5200001E-02
 C    2.980600      -2.777700     -0.6199000    
 C  -0.2067000      5.4299999E-02   2.025800    
 C    4.015600      0.5738000     -0.8538000    
 C    4.310800      0.6186000      0.4967000    
 C    4.071200       1.704900      -1.647800    
 C    4.674300       1.835900       1.072600    
 C    4.434700       2.922200      -1.071800    
 C    4.736200       2.987700      0.2885000    
 H   -5.587100     -0.5804000      1.6799999E-02
 H   -7.237100       1.526200      -1.464100    
 H   -7.846500      3.9700001E-02 -0.7432000    
 H   -4.580900       1.696000      0.2875000    
 H   -4.557700       1.890300      -1.468800    
 H   -4.679000      -1.184400      -2.186300    
 H   -6.436700      -1.322000      -2.195400    
 H   -5.659000      6.9899999E-02  -2.967900    
 H   -8.321300       1.852500      0.7742000    
 H   -7.053700      0.8686000       1.524200    
 H   -6.652800       2.422200      0.7588000    
 H   -2.785900      0.4192000      -1.626400    
 H   -1.116900      -1.784200       1.574300    
 H    1.408800      0.2301000     -0.3348000    
 H   0.2053000      -3.621700       1.144000    
 H    2.234600      -4.636600      0.1719000    
 H    3.871200      -3.233000      -1.044400    
 H    4.292800     -0.2679000       1.123900    
 H    3.836300       1.655500      -2.706700    
 H    4.914200       1.886000       2.130800    
 H    4.483000       3.819000      -1.682500    
 H    5.020400       3.935300      0.7368000    


%chk=000176847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176847

0 1
O -1.472375 1.060211 1.109556
O 3.207644 -0.870497 -1.321751
O -3.114756 -0.455211 1.903995
N -3.612582 1.257206 0.365422
N 1.071331 2.135408 3.106148
C -5.367081 0.170345 -1.109380
C -6.876804 -0.192121 -1.160574
C -5.041325 0.941958 0.198220
C -4.957964 0.985037 -2.358546
C -7.337324 -1.201848 -0.084788
C -2.795959 0.525847 1.182371
C -0.467877 0.303979 1.929601
C 0.305222 -0.679218 1.059316
C 1.441172 -0.262795 0.325418
C -0.163138 -2.012478 0.965751
C 2.108519 -1.197183 -0.497094
C 0.510764 -2.929274 0.127997
C 1.648485 -2.530391 -0.602895
C 0.380220 1.324935 2.570850
C 4.072147 0.218435 -1.020161
C 4.526217 0.492291 0.290603
C 4.545275 0.953689 -2.127863
C 5.456479 1.537422 0.485846
C 5.481386 1.990077 -1.917586
C 5.936001 2.289896 -0.611827
H -4.784254 -0.773958 -1.093502
H -7.475411 0.740180 -1.082003
H -7.094530 -0.611739 -2.162925
H -5.338538 0.345381 1.076261
H -5.615587 1.889874 0.215608
H -3.875602 1.211350 -2.368030
H -5.182988 0.423327 -3.283382
H -5.513944 1.942306 -2.405426
H -8.394638 -1.484706 -0.238740
H -6.730974 -2.125957 -0.125694
H -7.252713 -0.792907 0.938252
H -3.186959 2.017546 -0.165895
H -1.035484 -0.248253 2.704989
H 1.792897 0.771903 0.392194
H -1.050826 -2.317463 1.529878
H 0.153804 -3.961426 0.049732
H 2.188474 -3.225074 -1.252961
H 4.170276 -0.099809 1.139381
H 4.179266 0.703208 -3.127985
H 5.807744 1.758085 1.499558
H 5.851423 2.564386 -2.773910
H 6.656986 3.098226 -0.451229


