%chk=000084972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084972

0 1
 O    4.433900      -1.922300     -0.5038000    
 O   -2.143100       1.374400       1.662500    
 O   -6.144200       1.903900      -1.386700    
 O   -7.242800     -0.6491000      -1.426000    
 N   2.4000001E-03 -0.2983000       1.239800    
 N    2.665300      0.1270000      0.2978000    
 C   0.2453000      0.5038000      3.4600001E-02
 C    1.004200      -1.367000       1.338700    
 C    1.634800       1.144800      7.0900001E-02
 C    2.418500     -0.7878000       1.419500    
 C   -1.347200     -0.8610000       1.218400    
 C    3.993400      0.3936000     -5.3300001E-02
 C   -2.356200      0.2717000       1.162800    
 C    4.873400     -0.6332000     -0.4533000    
 C    4.491400       1.712000     -1.6200000E-02
 C   -3.657900      3.0099999E-02  0.4721000    
 C    6.194800     -0.3530000     -0.8012000    
 C    5.812900       1.992100     -0.3641000    
 C    6.664700      0.9597000     -0.7565000    
 C   -4.288500       1.091500     -0.1349000    
 C   -4.175300      -1.244800      0.4701000    
 C   -5.504500      0.8655000     -0.7800000    
 C   -5.391100      -1.470900     -0.1748000    
 C    3.871500      -2.366800      -1.736400    
 C   -6.055700     -0.4157000     -0.7999000    
 H  -0.4699000       1.323200     -8.5600004E-02
 H   0.1613000     -0.1233000     -0.8641000    
 H   0.9355000      -2.046800      0.4786000    
 H   0.8261000      -1.963400       2.241800    
 H    1.799500       1.653600     -0.8872000    
 H    1.671800       1.898900      0.8675000    
 H    2.538200     -0.2331000       2.359700    
 H    3.127500      -1.620000       1.459200    
 H   -1.468600      -1.525000      0.3545000    
 H   -1.541200      -1.426700       2.136900    
 H    3.863400       2.542200      0.2973000    
 H    6.864500      -1.152200      -1.107100    
 H    6.180000       3.013600     -0.3263000    
 H    7.693800       1.177700      -1.026400    
 H   -3.862300       2.090500     -0.1281000    
 H   -3.687800      -2.078400      0.9649000    
 H   -5.811600      -2.473000     -0.1793000    
 H    2.996600      -1.765200      -2.002700    
 H    3.555100      -3.406200      -1.612900    
 H    4.617000      -2.320500      -2.536500    
 H   -6.967600       1.567400      -1.781100    
 H   -7.467700      -1.591200      -1.337500    


%chk=000084972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084972

0 1
O 4.833200 -2.068021 0.032020
O -2.105545 1.706666 0.312171
O -7.173300 1.811099 0.128743
O -8.008979 -0.740015 -0.135849
N 0.009731 -0.184552 0.376961
N 2.865890 0.084852 -0.031588
C 0.550673 0.644076 -0.727483
C 0.929015 -1.310444 0.671287
C 1.940723 1.190899 -0.364866
C 2.320416 -0.782205 1.050655
C -1.370075 -0.631839 0.167053
C 4.261643 0.363805 -0.005291
C -2.427575 0.489042 0.205230
C 5.226884 -0.698968 0.030458
C 4.768644 1.695305 -0.045535
C -3.870603 0.083378 0.099693
C 6.606890 -0.429185 0.093275
C 6.154916 1.960191 -0.013737
C 7.084900 0.901155 0.075715
C -4.850544 1.113047 0.153865
C -4.284848 -1.269590 -0.041171
C -6.213625 0.799581 0.072969
C -5.656427 -1.591124 -0.123553
C 4.255215 -2.524273 -1.250702
C -6.613768 -0.560410 -0.066071
H -0.130993 1.492398 -0.895993
H 0.629404 0.046451 -1.673382
H 1.028764 -2.001320 -0.206739
H 0.524782 -1.892396 1.521049
H 2.340477 1.745367 -1.232581
H 1.829392 1.901278 0.486584
H 2.234159 -0.197155 1.994148
H 3.012560 -1.622800 1.216282
H -1.505276 -1.182848 -0.805052
H -1.624024 -1.356831 0.965631
H 4.069775 2.536735 -0.070159
H 7.291422 -1.283148 0.135658
H 6.503595 2.998849 -0.039007
H 8.160462 1.101811 0.118682
H -4.529947 2.153055 0.263096
H -3.552131 -2.079850 -0.090810
H -5.975090 -2.635166 -0.233071
H 3.363024 -1.925904 -1.514621
H 3.981225 -3.579483 -1.094142
H 5.010254 -2.447554 -2.056652
H -8.078504 1.407703 0.059738
H -8.263180 -1.689361 -0.227205


