%chk=000117216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117216

0 1
 O   0.2336000     -0.4304000     -0.1863000    
 O   -3.226800     -0.9688000     -0.1135000    
 O    1.358800      -1.361700      -1.958600    
 O   -4.149400      -1.755300       1.843600    
 N    2.047500      -1.701400      0.2305000    
 N   -4.539600      -2.803200     -0.1656000    
 C   -1.769400      0.9942000     -0.3461000    
 C   -1.141700       2.116200      0.5323000    
 C  -0.6898000      0.1682000      -1.086200    
 C   -2.596300      8.6000003E-02  0.6019000    
 C  -0.2618000       3.132100     -0.2069000    
 C   -2.716000       1.598100      -1.403900    
 C   0.3448000       4.144400      0.7682000    
 C    1.190600       5.179100      4.2900000E-02
 C    1.229600      -1.184100     -0.7518000    
 C    3.192100      -2.540900     -3.8800001E-02
 C   -3.984400      -1.832300      0.6306000    
 C    4.473100      -1.735100     -0.2276000    
 C    4.846800     -0.9249000       1.015700    
 C    6.158100     -0.1802000      0.8195000    
 H   -1.947100       2.663000       1.041400    
 H  -0.5421000       1.652900       1.327400    
 H  -0.1427000      0.8023000      -1.794100    
 H   -1.170200     -0.6261000      -1.672200    
 H   -3.368900      0.6820000       1.105000    
 H   -1.944400     -0.3461000       1.371800    
 H   0.5527000       2.622100     -0.7316000    
 H  -0.8536000       3.667100     -0.9573000    
 H   -2.174100       2.222900      -2.121500    
 H   -3.486500       2.219100     -0.9335000    
 H   -3.224500      0.8183000      -1.981800    
 H   0.9663000       3.624400       1.506400    
 H  -0.4535000       4.656400       1.318100    
 H    1.614400       5.890900      0.7581000    
 H   0.5898000       5.740500     -0.6796000    
 H    2.017700       4.703100     -0.4936000    
 H    2.993500      -3.132100     -0.9394000    
 H    3.293800      -3.232700      0.8040000    
 H    1.834000      -1.475700       1.197300    
 H    5.289200      -2.425400     -0.4729000    
 H    4.358800      -1.056100      -1.081700    
 H    4.060400     -0.1980000       1.247800    
 H    4.938800      -1.592300       1.880500    
 H    6.090200      0.5189000     -2.0099999E-02
 H    6.407300      0.3919000       1.718700    
 H    6.979300     -0.8766000      0.6219000    
 H   -4.373300      -2.824700      -1.166100    
 H   -5.133200      -3.528900      0.2219000    


%chk=000117216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117216

0 1
O 0.259561 -0.260842 -0.101503
O -3.152282 -0.979926 -0.230283
O 1.242258 -1.587878 -1.792437
O -4.021355 -1.921702 1.749821
N 1.977917 -1.650169 0.439871
N -4.305025 -2.935690 -0.350409
C -1.789790 1.063964 -0.365678
C -1.190358 2.187857 0.540048
C -0.688941 0.278672 -1.109164
C -2.563395 0.117938 0.579766
C -0.341104 3.262812 -0.175419
C -2.751692 1.649807 -1.432316
C 0.189560 4.332978 0.807300
C 1.047049 5.412481 0.112770
C 1.181316 -1.211610 -0.592656
C 3.071502 -2.610918 0.215409
C -3.848684 -1.955559 0.506004
C 4.418535 -1.943684 -0.151933
C 4.993479 -1.040885 0.961951
C 6.339105 -0.394846 0.566987
H -2.030263 2.690715 1.064531
H -0.565275 1.712592 1.322067
H -0.131192 0.931336 -1.804804
H -1.119740 -0.561364 -1.679900
H -3.380380 0.655297 1.096500
H -1.893177 -0.324154 1.337562
H 0.522841 2.788721 -0.682781
H -0.937485 3.766320 -0.962629
H -2.211811 2.273866 -2.166590
H -3.519365 2.283041 -0.949912
H -3.269803 0.842392 -1.978056
H 0.787840 3.835427 1.597811
H -0.667586 4.813197 1.322235
H 1.421283 6.160317 0.835883
H 0.461783 5.950648 -0.656786
H 1.923084 4.960020 -0.389447
H 2.757360 -3.282519 -0.602766
H 3.186364 -3.218881 1.133176
H 1.821160 -1.247378 1.363421
H 5.147197 -2.746344 -0.387735
H 4.281413 -1.356670 -1.080936
H 4.260958 -0.243911 1.201487
H 5.126668 -1.639123 1.887528
H 6.224441 0.233274 -0.336278
H 6.735057 0.245076 1.376723
H 7.099392 -1.166824 0.343081
H -4.096867 -2.892987 -1.344816
H -4.829651 -3.713783 0.038102


