%chk=000013969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013969

0 1
 O   -3.476200       1.097000     -0.5141000    
 O   0.2675000      0.9739000      0.2966000    
 O   0.7995000      -3.582900     -0.4622000    
 O    4.436500      -1.022600      0.6275000    
 O   -5.384300       1.186600      0.7853000    
 N   0.4258000      -1.338900      6.4300001E-02
 N    2.588500      -2.293600      0.1373000    
 C  -0.9588000      -1.447700     -0.3274000    
 C   -1.876400      -1.062700      0.8351000    
 C   -1.240100     -0.5949000      -1.566900    
 C   -3.643300     -0.2873000     -0.8127000    
 C   -3.350300      -1.124900      0.4328000    
 C   -2.714300     -0.6551000      -1.969300    
 C    2.259300     -9.8099999E-02   1.115600    
 C   0.9015000     -7.2499998E-02  0.4380000    
 C    1.228300      -2.485700     -9.4800003E-02
 C    2.909400       1.284600       1.107200    
 C    3.213700      -1.144400      0.5905000    
 C    3.285800       1.709300     -0.3090000    
 C    3.906400       3.106100     -0.3168000    
 C   -4.267900       1.588000      0.4860000    
 C    4.254500       3.553200      -1.727600    
 C   -3.565200       2.712700       1.184300    
 H   -1.194400      -2.486500     -0.5898000    
 H   -1.706500      -1.747100       1.676200    
 H   -1.667400     -6.0100000E-02   1.220400    
 H  -0.9830000      0.4594000      -1.446700    
 H  -0.6274000     -0.9547000      -2.403600    
 H   -4.678800     -0.4490000      -1.137600    
 H   -3.959600     -0.8278000       1.291900    
 H   -3.610400      -2.170100      0.2209000    
 H   -2.950600      -1.667800      -2.318500    
 H   -2.877200      2.7799999E-02  -2.811500    
 H    2.060900     -0.3702000       2.162100    
 H    2.230800       2.024900       1.549300    
 H    3.809500       1.276600       1.735100    
 H    3.196300      -3.073000     -9.9500000E-02
 H    4.000900       1.011800     -0.7575000    
 H    2.403600       1.714500     -0.9589000    
 H    4.814000       3.114100      0.2980000    
 H    3.208400       3.827100      0.1244000    
 H    3.361600       3.588600      -2.359900    
 H    4.975800       2.871000      -2.188900    
 H    4.697300       4.554000      -1.709400    
 H   -4.204600       3.099500       1.982900    
 H   -2.634800       2.350300       1.628200    
 H   -3.364800       3.520600      0.4762000    


%chk=000013969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013969

0 1
O -3.625772 1.112731 -0.075315
O 0.245657 0.850065 1.474484
O 1.103235 -3.038670 -1.009118
O 4.496172 -1.446412 1.704224
O -5.822626 0.594699 0.522522
N 0.630018 -1.064565 0.192420
N 2.757698 -2.176731 0.359809
C -0.766346 -1.054762 -0.380430
C -1.850088 -1.235694 0.709372
C -1.029846 0.201529 -1.245341
C -3.541409 -0.152914 -0.887178
C -3.241990 -1.346490 0.042797
C -2.422389 0.087342 -1.912299
C 2.487050 -0.048904 1.592736
C 1.038502 -0.053662 1.095432
C 1.467283 -2.139809 -0.206601
C 3.208105 1.266342 1.129757
C 3.337758 -1.261531 1.249642
C 3.367337 1.400508 -0.399779
C 4.080797 2.714791 -0.792633
C -4.832741 1.359847 0.587303
C 4.239774 2.875248 -2.319570
C -4.750434 2.659464 1.359149
H -0.788401 -1.941546 -1.040832
H -1.644914 -2.151053 1.295880
H -1.830090 -0.375029 1.398371
H -0.997171 1.105548 -0.614952
H -0.249573 0.291803 -2.024789
H -4.522266 -0.293159 -1.377889
H -4.034536 -1.425138 0.807573
H -3.296346 -2.268857 -0.571105
H -2.433392 -0.759992 -2.627323
H -2.642445 1.004370 -2.488255
H 2.434078 0.002127 2.697675
H 2.620398 2.115122 1.524964
H 4.200974 1.280429 1.616328
H 3.322027 -2.987809 0.084450
H 3.946825 0.543183 -0.799750
H 2.371557 1.372624 -0.888753
H 5.078217 2.745149 -0.309384
H 3.509467 3.573624 -0.385857
H 3.254765 2.879160 -2.823471
H 4.832720 2.044948 -2.747125
H 4.751920 3.821085 -2.573507
H -5.694327 2.832988 1.895458
H -3.911159 2.623195 2.075015
H -4.554577 3.498806 0.669396


