%chk=000156990.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156990

0 1
 O  -0.3965000       1.420200      0.4416000    
 O   0.8053000      -2.560100       1.208400    
 O  -8.3700001E-02   3.244200     -0.9410000    
 N   -2.642900      -1.422700     -0.8324000    
 C   -1.724000      -1.534700      0.3191000    
 C   -2.998300      6.8000001E-03 -0.8246000    
 C  -0.3623000     -0.9674000     -0.1723000    
 C   -2.392300     -0.6907000       1.412000    
 C  -0.4710000      0.5031000     -0.6482000    
 C   -3.238800      0.3315000      0.6516000    
 C   -1.784600      0.7642000      -1.408400    
 C   0.7428000      -1.179300      0.8651000    
 C   -3.805700      -2.299600     -0.7206000    
 C    2.087400     -0.7267000      0.3539000    
 C  -0.4670000       2.742200      0.1069000    
 C    2.898500      -1.627600     -0.3194000    
 C    2.490900      0.5831000      0.5659000    
 C   -1.094700       3.514600       1.227400    
 C    4.142300      -1.208900     -0.7921000    
 C    3.734500       1.001800      9.3099996E-02
 C    4.560300      0.1059000     -0.5860000    
 H   -1.604700      -2.577700      0.6334000    
 H   -3.878700      0.2251000      -1.439900    
 H  -0.1003000      -1.567400      -1.059300    
 H   -1.683800     -0.2073000       2.089600    
 H   -3.048600      -1.316100       2.029500    
 H   0.3657000      0.7183000      -1.325700    
 H   -4.295400      0.1849000      0.9072000    
 H   -2.989500       1.360800      0.9150000    
 H   -1.646000      0.4177000      -2.442500    
 H   -2.051000       1.822400      -1.482900    
 H   0.5147000     -0.6468000       1.795600    
 H   -3.486400      -3.347600     -0.7246000    
 H   -4.459000      -2.168300      -1.590300    
 H   -4.404900      -2.132500      0.1802000    
 H    1.499400      -2.670600       1.880800    
 H    2.590100      -2.652200     -0.5050000    
 H    1.894800       1.283900       1.138300    
 H  -0.9245000       3.013000       2.184400    
 H   -2.166700       3.618600       1.047500    
 H  -0.6296000       4.502800       1.284800    
 H    4.784400      -1.905600      -1.323100    
 H    4.065500       2.022000      0.2646000    
 H    5.529600      0.4314000     -0.9522000    


%chk=000156990-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156990

0 1
O -0.646878 1.424383 0.400069
O 0.718774 -2.486332 1.320170
O 0.075299 3.096305 -1.064855
N -2.710590 -1.644152 -0.841621
C -1.815419 -1.583039 0.361314
C -3.125733 -0.207099 -0.968747
C -0.464131 -0.984864 -0.128925
C -2.577698 -0.675927 1.391666
C -0.633313 0.424913 -0.741025
C -3.466894 0.250636 0.495243
C -1.927453 0.559039 -1.576653
C 0.653642 -1.052563 0.938508
C -3.845283 -2.584384 -0.688733
C 2.009125 -0.568059 0.432786
C -0.267813 2.731038 0.083027
C 2.711517 -1.309537 -0.553435
C 2.592693 0.615483 0.946283
C -0.359553 3.626030 1.302850
C 3.966892 -0.866417 -1.022311
C 3.848907 1.062144 0.477381
C 4.538768 0.323022 -0.510147
H -1.619953 -2.595445 0.747717
H -3.992512 -0.124334 -1.648636
H -0.148784 -1.637021 -0.968273
H -1.888259 -0.094400 2.025023
H -3.198349 -1.299408 2.060188
H 0.240845 0.693960 -1.361215
H -4.540808 0.098338 0.706554
H -3.240384 1.318017 0.653459
H -1.725795 0.132700 -2.577158
H -2.161243 1.629876 -1.717116
H 0.360067 -0.447746 1.820702
H -3.450058 -3.609352 -0.575066
H -4.462999 -2.559033 -1.604453
H -4.511124 -2.374093 0.182254
H 1.498391 -2.610929 1.918452
H 2.272091 -2.237013 -0.938032
H 2.058612 1.188672 1.714388
H -0.239997 3.049565 2.233187
H -1.352385 4.112352 1.325734
H 0.402604 4.417970 1.236672
H 4.500912 -1.445083 -1.784662
H 4.287279 1.982548 0.879049
H 5.512288 0.667937 -0.876209


