%chk=000122819.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122819

0 1
 O  -0.3390000       1.386500     -3.9700001E-02
 O    1.753000       3.211100     -9.4300002E-02
 O    4.324100       2.465200     -6.1900001E-02
 O    3.409200      -2.698000       1.148900    
 N   0.3617000      -1.309400      5.2700002E-02
 N   -5.016500      0.2830000     -8.1000002E-03
 N    3.383800      -2.677900      -1.160000    
 C  -0.9896000     -0.9455000      3.8899999E-02
 C    1.350800     -0.3443000      2.1900000E-02
 C   -1.321600      0.4172000     -8.2000000E-03
 C   0.9870000      0.9587000     -2.2299999E-02
 C   -3.665500     -0.1232000      7.4999998E-03
 C   -2.651400      0.8328000     -2.4000000E-02
 C    2.759800     -0.7243000      3.8199998E-02
 C   -2.013300      -1.894400      6.9499999E-02
 C   -3.347800      -1.482400      5.4000001E-02
 C    2.017700       2.019300     -5.3700000E-02
 C    3.764400      0.1632000      1.2100000E-02
 C    3.458900       1.604000     -3.5700001E-02
 C    3.214100      -2.123700      8.4100001E-02
 C   -5.409900       1.544900      0.5861000    
 C   -6.029900     -0.5628000     -0.6060000    
 H   0.6180000      -2.286700      8.6800002E-02
 H   -2.869100       1.895800     -7.2200000E-02
 H   -1.781700      -2.955600      0.1084000    
 H   -4.117800      -2.248100      9.1499999E-02
 H    4.810600     -0.1237000      2.5100000E-02
 H   -4.899000       1.715700       1.540400    
 H   -6.485100       1.564400      0.7968000    
 H   -5.192500       2.377400     -9.1300003E-02
 H   -5.680700      -1.005200      -1.545900    
 H   -6.932100      1.1200000E-02 -0.8452000    
 H   -6.322000      -1.363800      8.1200004E-02
 H    3.208200      -2.163100      -2.017400    
 H    3.694700      -3.638200      -1.264100    


%chk=000122819-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122819

0 1
O -0.396656 1.421855 -0.004216
O 1.652498 3.294900 0.141959
O 4.379191 2.407727 0.117232
O 2.141894 -3.200140 -0.226596
N 0.295568 -1.326658 -0.194904
N -5.109933 0.313957 0.096999
N 4.300531 -2.614921 -0.767123
C -1.057923 -0.963970 -0.121721
C 1.295349 -0.369939 -0.149042
C -1.388944 0.423019 -0.027272
C 0.977526 0.988133 -0.043338
C -3.785190 -0.109737 0.025434
C -2.713814 0.847070 0.044197
C 2.704536 -0.814217 -0.218946
C -2.107596 -1.908603 -0.137698
C -3.451282 -1.501143 -0.066279
C 1.950157 2.054681 0.044611
C 3.692784 0.137377 -0.106270
C 3.410375 1.589681 0.028583
C 3.019366 -2.277883 -0.397715
C -5.426731 1.747878 0.196381
C -6.199734 -0.672672 0.079972
H 0.623398 -2.316413 -0.197850
H -2.894506 1.921079 0.116674
H -1.867134 -2.975389 -0.208003
H -4.233930 -2.262341 -0.081272
H 4.759897 -0.115233 -0.090674
H -4.989947 2.199909 1.108517
H -6.518623 1.878579 0.241109
H -5.049929 2.309825 -0.680538
H -6.191629 -1.272574 -0.851725
H -7.166792 -0.150802 0.139407
H -6.133437 -1.369231 0.939388
H 5.014296 -1.926790 -0.995257
H 4.517865 -3.606914 -0.859925


