%chk=000102310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102310

0 1
 O   -5.035600       1.669700       1.929800    
 O    6.639200     -0.6473000       1.425400    
 N   -3.692700     -0.8792000      1.2000000E-02
 N    3.599500     -0.7254000     -0.2271000    
 C   -1.504300      -1.981400     -0.1574000    
 C    1.461800      -1.909700      1.8300001E-02
 C  -0.6961000      -3.212400      0.2720000    
 C  -0.7522000     -0.6892000      0.1857000    
 C   0.7098000      -3.201600     -0.3255000    
 C   0.6539000     -0.6786000     -0.4116000    
 C   -2.886300      -1.990200      0.4930000    
 C    2.844400      -1.901200     -0.6309000    
 C   -5.008600     -0.8788000      0.6383000    
 C    4.915700     -0.7091000     -0.8527000    
 C   -5.855400      0.2720000      0.1636000    
 C    5.709500      0.5078000     -0.4579000    
 C   -5.825000       1.487500      0.8343000    
 C    6.530700      0.4756000      0.6614000    
 C   -6.662800      9.3400002E-02 -0.9522000    
 C    5.603600       1.656200      -1.231700    
 C   -6.615800       2.543400      0.3811000    
 C    7.259200       1.612000       1.013100    
 C   -7.453700       1.149300      -1.405200    
 C    6.332000       2.792500     -0.8799000    
 C   -7.430300       2.374300     -0.7385000    
 C    7.159800       2.770400      0.2425000    
 H   -1.629000      -2.027600      -1.248800    
 H    1.586000      -1.875700       1.110200    
 H   -1.213000      -4.127400     -4.1400000E-02
 H  -0.6223000      -3.248800       1.366500    
 H  -0.6809000     -0.5749000       1.275200    
 H   -1.291600      0.1875000     -0.1908000    
 H    1.266200      -4.069300      4.8599999E-02
 H   0.6394000      -3.315300      -1.414900    
 H   0.5794000     -0.6424000      -1.506200    
 H    1.153400      0.2449000     -9.6600004E-02
 H   -2.778100      -1.932800       1.583600    
 H   -3.386400      -2.939300      0.2623000    
 H    2.736500      -1.923400      -1.722800    
 H    3.385500      -2.809200     -0.3361000    
 H   -3.792700     -0.9455000      -1.000800    
 H    3.701500     -0.7210000      0.7878000    
 H   -5.530800      -1.815300      0.3972000    
 H   -4.934100     -0.8762000       1.732800    
 H    5.478600      -1.617000     -0.6003000    
 H    4.811500     -0.7205000      -1.946000    
 H   -6.688400     -0.8550000      -1.481700    
 H    4.960600       1.686600      -2.107000    
 H   -6.602200       3.500400      0.8959000    
 H    7.908000       1.609100       1.885000    
 H   -8.087400       1.018000      -2.277400    
 H    6.254300       3.694800      -1.479500    
 H   -8.046000       3.196400      -1.091400    
 H    7.726800       3.655300      0.5164000    
 H   -4.310100       1.025000       1.931700    
 H    7.255500     -0.4747000       2.157600    


%chk=000102310-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102310

0 1
O -3.990283 1.446474 0.449377
O 5.737465 -0.284424 1.805688
N -3.848155 -1.087285 -0.064504
N 3.665056 -0.654800 -0.287561
C -1.524027 -2.041661 -0.205868
C 1.482861 -1.863680 -0.093946
C -0.650653 -3.251518 0.218426
C -0.796060 -0.712269 0.119306
C 0.759688 -3.195371 -0.413665
C 0.608305 -0.661109 -0.523743
C -2.918388 -2.130267 0.452055
C 2.884191 -1.826649 -0.742420
C -5.232847 -1.137684 0.516076
C 5.007436 -0.570107 -0.917730
C -6.017374 0.109455 0.137221
C 5.807471 0.625095 -0.427984
C -5.349736 1.377207 0.164812
C 6.177740 0.744523 0.938274
C -7.393886 0.064579 -0.175652
C 6.233069 1.646697 -1.307542
C -6.076034 2.565720 -0.091690
C 6.944207 1.833902 1.408689
C -8.121297 1.249255 -0.434751
C 7.004821 2.744720 -0.859445
C -7.454898 2.498061 -0.383245
C 7.360968 2.836110 0.503982
H -1.657668 -2.097829 -1.311264
H 1.616274 -1.809587 1.011348
H -1.153314 -4.199542 -0.060456
H -0.553656 -3.252821 1.325153
H -0.702028 -0.619388 1.222533
H -1.396958 0.152245 -0.220120
H 1.365440 -4.052572 -0.057312
H 0.672452 -3.302388 -1.516081
H 0.506345 -0.674672 -1.630459
H 1.126931 0.279932 -0.267585
H -2.823222 -1.978875 1.545835
H -3.339961 -3.151248 0.298233
H 2.772439 -1.759405 -1.845067
H 3.408187 -2.797514 -0.534726
H -3.893314 -1.118172 -1.095724
H 3.768458 -0.658592 0.738793
H -5.779227 -2.058218 0.219282
H -5.097672 -1.177930 1.616700
H 5.606320 -1.500864 -0.740430
H 4.866824 -0.483927 -2.012089
H -7.904561 -0.906996 -0.205072
H 5.949532 1.577521 -2.364379
H -5.542921 3.521017 -0.058647
H 7.214802 1.902234 2.470957
H -9.189202 1.200365 -0.672030
H 7.320229 3.519283 -1.565948
H -8.009811 3.422823 -0.579579
H 7.955928 3.681022 0.867152
H -3.631475 0.461526 0.322750
H 6.075690 -0.135701 2.723071


