%chk=000226544.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226544

0 1
 O   -3.929800       1.599700       1.264100    
 O    6.808200      -1.338400     -0.3226000    
 N   -3.481500     -0.8069000      -1.321000    
 C   -1.563700       1.001300      0.7484000    
 C  -0.8470000      0.9582000     -0.6171000    
 C   0.6802000       1.071800     -0.5161000    
 C    1.234600     -6.5700002E-02  0.3896000    
 C   -3.070200      0.9987000      0.2884000    
 C    2.803800      3.8500000E-02  0.5552000    
 C   -1.067100     -0.2073000       1.563500    
 C   0.4629000     -0.1962000       1.730700    
 C   -1.590500       1.992300      -1.459400    
 C   -3.032400       1.991000     -0.9154000    
 C    1.322800      0.9955000      -1.910100    
 C    3.476500      0.3251000     -0.7947000    
 C   -1.259100       2.301300       1.553500    
 C    3.327300      -1.320700       1.109300    
 C    2.794600      0.7350000      -1.878200    
 C    3.192500       1.173600       1.533000    
 C   -3.653800     -0.3780000     -5.2600000E-02
 C    4.971700      0.1211000     -0.8781000    
 C    4.847200      -1.474200       1.069600    
 C    5.387200      -1.244500     -0.3384000    
 C   -4.311800      -1.094200      0.9313000    
 C   -4.829700      -2.338600      0.5896000    
 C   -3.998600      -2.020600      -1.616200    
 C   -4.674400      -2.817900     -0.7064000    
 H   -1.043500     -1.9600000E-02  -1.081900    
 H   0.9420000       2.044400     -8.4100001E-02
 H    1.033000      -1.004100     -0.1527000    
 H   -1.336200      -1.147800       1.068100    
 H   -1.544500     -0.2253000       2.550600    
 H   0.7341000      0.6101000       2.417200    
 H   0.7513000      -1.127700       2.231000    
 H   -1.568900       1.734100      -2.523300    
 H   -1.148300       2.989300      -1.352900    
 H   -3.302300       3.013400     -0.6225000    
 H   -3.743500       1.716400      -1.703000    
 H    1.144800       1.940000      -2.438300    
 H   0.8543000      0.2047000      -2.509200    
 H   -1.755100       2.272900       2.530700    
 H   -1.596700       3.205800       1.038400    
 H  -0.1932000       2.444200       1.747900    
 H    2.891200      -2.145600      0.5293000    
 H    2.996500      -1.463600       2.144900    
 H    3.323800      0.9017000      -2.813500    
 H    2.868600      0.9553000       2.555700    
 H    4.275800       1.325900       1.584600    
 H    2.753400       2.132300       1.238600    
 H    5.337600      0.2193000      -1.908400    
 H    5.484800      0.9148000     -0.3205000    
 H    5.325500     -0.7838000       1.775300    
 H    5.125700      -2.478500       1.412000    
 H    5.014800      -2.029000      -1.009100    
 H   -3.720200       2.543200       1.354500    
 H   -4.422600     -0.7302000       1.946600    
 H    7.040200      -2.220400      1.4900000E-02
 H   -5.350300      -2.935300       1.332500    
 H   -3.850000      -2.348900      -2.639600    
 H   -5.068900      -3.785400     -0.9949000    


%chk=000226544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226544

0 1
O -3.997896 1.577377 1.334211
O 6.867366 -1.358345 -0.372734
N -3.286656 -0.913727 -1.203030
C -1.565208 1.041580 0.744840
C -0.840058 1.059289 -0.630384
C 0.697020 1.139710 -0.529156
C 1.232581 -0.036705 0.349038
C -3.095098 1.057163 0.284816
C 2.797120 0.024096 0.539681
C -1.081025 -0.200470 1.527423
C 0.461635 -0.173985 1.696169
C -1.594826 2.138776 -1.444914
C -3.081485 1.977785 -0.993738
C 1.334816 1.074421 -1.937265
C 3.488578 0.306655 -0.810993
C -1.306684 2.329972 1.574463
C 3.286309 -1.373560 1.058203
C 2.813547 0.757743 -1.903014
C 3.209951 1.132762 1.558029
C -3.639465 -0.345520 -0.007124
C 4.994677 0.072629 -0.877846
C 4.822738 -1.543835 1.057860
C 5.390880 -1.317941 -0.354439
C -4.458671 -1.023811 0.931246
C -4.921091 -2.321826 0.627241
C -3.735138 -2.171788 -1.480484
C -4.553428 -2.915927 -0.602557
H -1.078849 0.086928 -1.112638
H 0.992825 2.103954 -0.064263
H 1.027267 -0.963116 -0.236312
H -1.366735 -1.117122 0.975244
H -1.566453 -0.256592 2.522413
H 0.737501 0.655880 2.373201
H 0.774490 -1.104646 2.207287
H -1.483805 1.987677 -2.532387
H -1.209584 3.150843 -1.210554
H -3.549452 2.950132 -0.747559
H -3.684403 1.515351 -1.791577
H 1.174092 2.033271 -2.470791
H 0.805419 0.305853 -2.544107
H -1.787079 2.254234 2.567379
H -1.684445 3.238514 1.066984
H -0.230354 2.492323 1.744599
H 2.838643 -2.159693 0.414550
H 2.902354 -1.541947 2.082050
H 3.372466 0.912222 -2.838641
H 2.906601 0.869673 2.588014
H 4.302842 1.286909 1.566384
H 2.746135 2.100699 1.295846
H 5.356961 0.195284 -1.914157
H 5.541564 0.813937 -0.259281
H 5.301898 -0.824387 1.749714
H 5.082905 -2.560948 1.418045
H 4.984489 -2.099887 -1.035787
H -3.752867 2.519614 1.507385
H -4.728351 -0.518738 1.860591
H 7.165052 -2.230966 -0.008832
H -5.559698 -2.860015 1.336345
H -3.426576 -2.585456 -2.448084
H -4.892242 -3.919804 -0.877801


