%chk=000019971.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019971

0 1
 O   -1.106100       1.411800      -1.859000    
 O   0.1063000      -2.050200      0.3710000    
 O   -4.719400     -0.6271000      0.8172000    
 O    2.078500       2.414200       1.853500    
 O    3.258500      -1.093800      -2.009600    
 O  -0.1371000      -4.334400      0.2180000    
 N   -2.968800      0.8147000      0.2665000    
 N  -1.3300000E-02   1.176900      0.2577000    
 N    5.355100     -9.7800002E-02 -0.6096000    
 N  -0.1242000      -3.275200       2.258700    
 C   -1.940800     -8.2999997E-02 -0.1905000    
 C   -1.986200      0.3767000       1.205800    
 C  -0.7208000      0.4837000     -0.8473000    
 C  -0.7981000       1.247500       1.487400    
 C   0.3688000     -0.4868000      -1.416100    
 C    1.342000      0.9594000      0.1591000    
 C    1.631500      6.9300003E-02 -0.7879000    
 C   -4.296800      0.4296000      0.3544000    
 C   0.1882000      -1.955600      -1.038800    
 C    2.367800       1.597400      0.9862000    
 C    3.010600     -0.3049000      -1.103000    
 C   -5.223700       1.483600     -0.1873000    
 C   -1.642300      0.7473000      -2.992900    
 C    3.788200       1.202200      0.7032000    
 C    4.096400      0.3190000     -0.2718000    
 C   -6.654800       1.007700     -0.1045000    
 C    4.799000       1.877800       1.591600    
 C  -5.8400001E-02  -3.310000      0.8878000    
 H   -2.291400      -1.053600     -0.4959000    
 H   -2.312400     -0.2705000       2.003600    
 H   -1.095900       2.279500       1.697500    
 H  -0.2388000      0.8521000       2.342000    
 H   0.4864000     -0.4185000      -2.500500    
 H    1.037100      -2.550800      -1.396200    
 H  -0.7228000      -2.354900      -1.499500    
 H   -5.095600       2.402800      0.3945000    
 H   -4.954800       1.693600      -1.228200    
 H   -2.371500       1.421900      -3.452700    
 H   -2.158800     -0.1887000      -2.760100    
 H  -0.8618000      0.5760000      -3.739500    
 H   -7.330600       1.771300     -0.5029000    
 H   -6.950800      0.8057000      0.9307000    
 H   -6.806100      9.0499997E-02 -0.6840000    
 H    4.746800       2.964600       1.465000    
 H    5.829800       1.578400       1.388200    
 H    4.596500       1.641400       2.642000    
 H    6.168700      0.2527000     -0.1230000    
 H    5.475500     -0.7667000      -1.360300    
 H  -5.5399999E-02  -2.400500       2.768100    
 H  -0.2449000      -4.122000       2.804000    


%chk=000019971-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019971

0 1
O -0.978087 1.696984 -1.622211
O 0.344832 -2.292026 0.206136
O -4.832604 1.030813 1.769673
O 2.226690 2.219968 2.170518
O 3.352635 -1.099419 -2.114141
O -1.827507 -3.228698 0.241502
N -2.906660 1.016643 0.461132
N 0.130667 1.224075 0.392272
N 5.384505 -0.051368 -0.742072
N -0.343214 -3.421714 2.048673
C -1.884130 0.010048 0.033761
C -1.885357 0.617151 1.451810
C -0.652853 0.585543 -0.707807
C -0.677080 1.557832 1.588845
C 0.382594 -0.386465 -1.400577
C 1.465798 0.962096 0.251329
C 1.704304 0.104411 -0.821744
C -4.298834 0.841230 0.641834
C 0.192063 -1.905161 -1.221294
C 2.546103 1.502043 1.152227
C 3.028920 -0.280822 -1.170098
C -5.086391 0.536593 -0.634312
C -1.897281 1.343561 -2.708183
C 3.911142 1.154339 0.792773
C 4.142874 0.329067 -0.313874
C -6.553882 0.169460 -0.352292
C 5.048743 1.696084 1.632015
C -0.712988 -3.014256 0.789573
H -2.205971 -1.022847 -0.136358
H -2.227965 0.041212 2.317191
H -0.989313 2.615812 1.573141
H -0.085962 1.378882 2.499590
H 0.342786 -0.206978 -2.491965
H 0.999682 -2.424882 -1.763330
H -0.793513 -2.252713 -1.579934
H -5.033104 1.436027 -1.280586
H -4.576947 -0.274641 -1.191401
H -1.996753 2.260565 -3.308713
H -2.889769 1.048140 -2.321506
H -1.497106 0.532935 -3.352047
H -7.103666 0.021189 -1.298735
H -7.049050 0.967270 0.225721
H -6.624170 -0.758358 0.241391
H 5.718642 2.357282 1.046236
H 5.668660 0.886415 2.067345
H 4.635486 2.290053 2.463003
H 6.239167 0.257389 -0.286610
H 5.407323 -0.685877 -1.548428
H 0.593380 -3.229298 2.396848
H -1.007537 -3.951291 2.606278


