%chk=000028136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028136

0 1
 O    2.383500     -0.3728000      -2.227800    
 O  -0.4891000       2.811800     -0.1476000    
 O  -0.1931000      -3.243000      0.9134000    
 O   -2.247700       1.238100      -1.165100    
 O   -1.179700       2.093400       1.927700    
 N    4.433100     -0.3297000     -0.1273000    
 N    1.526600      -1.145700     -0.1361000    
 N   -4.026600     -0.5582000     -0.1861000    
 N   -1.996400       4.037600       1.011100    
 C    3.217900      0.4853000     -0.1491000    
 C    3.480400     -0.4852000      0.9572000    
 C    2.010700      2.5000000E-02 -0.9087000    
 C    2.443200      -1.568500      0.9183000    
 C   0.7448000      0.9453000     -0.9848000    
 C   0.1522000      -1.140900     -8.2400002E-02
 C  -0.3559000     -1.5699999E-02 -0.5807000    
 C    5.575300      0.4600000      0.3026000    
 C   0.7606000       2.154400     -5.1700000E-02
 C  -0.6823000      -2.213000      0.4629000    
 C   -1.798800      0.2137000     -0.6600000    
 C   -2.165500      -1.983100      0.4257000    
 C   -2.694100     -0.8558000     -9.9600002E-02
 C   -2.973500      -3.110500       1.011800    
 C   -1.217000       2.907300       1.011000    
 C   -4.708600     -0.3498000      -1.434700    
 H    3.327200       1.548500     -1.2300000E-02
 H    3.721700     -0.1277000       1.947700    
 H    2.885700      -2.540200      0.6775000    
 H    1.934300      -1.636000       1.885900    
 H   0.5623000       1.272400      -2.016500    
 H    6.334100     -0.2005000      0.7360000    
 H    5.356300       1.240000       1.043700    
 H    6.028700      0.9502000     -0.5657000    
 H    1.666300     -0.9311000      -2.572800    
 H    1.521800       2.867900     -0.3849000    
 H    1.008100       1.872400      0.9793000    
 H   -4.052300      -2.971200      0.9041000    
 H   -2.758000      -3.214000       2.080500    
 H   -2.725500      -4.054600      0.5145000    
 H   -4.603500     -0.9975000      0.5261000    
 H   -4.318300      -1.003000      -2.222400    
 H   -4.629500      0.6909000      -1.761900    
 H   -5.773900     -0.5728000      -1.315200    
 H   -1.993000       4.681700      0.2275000    
 H   -2.600000       4.263100       1.794600    


%chk=000028136-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028136

0 1
O 2.419473 -0.348705 -2.122122
O -0.394639 3.029721 -0.019219
O -0.123775 -3.065691 1.358321
O -2.326376 1.161608 -1.494606
O -0.941137 2.768596 2.268435
N 4.439323 -0.420412 -0.148147
N 1.518811 -1.039090 0.057637
N -4.005469 -0.916306 -0.526731
N -2.487520 3.536863 0.666858
C 3.284154 0.548270 -0.047487
C 3.563575 -0.445234 1.078515
C 2.024538 0.108029 -0.796307
C 2.507354 -1.560795 1.034786
C 0.767264 1.051655 -0.888474
C 0.151183 -1.046504 0.066609
C -0.374860 0.075221 -0.585413
C 5.785537 0.187942 0.006278
C 0.822804 2.223111 0.126651
C -0.686210 -2.124280 0.681955
C -1.780032 0.189193 -0.851018
C -2.113310 -2.020492 0.451574
C -2.647237 -0.951295 -0.297472
C -2.999475 -3.105678 1.028452
C -1.265554 3.075828 1.093915
C -4.816103 0.075332 -1.254340
H 3.507215 1.613720 0.064343
H 3.967080 -0.110532 2.041283
H 2.951716 -2.507012 0.681884
H 2.012121 -1.741349 2.002125
H 0.708473 1.482366 -1.903121
H 6.486218 -0.599023 0.334898
H 5.834222 1.030872 0.735484
H 6.111733 0.557998 -0.980642
H 1.606054 -0.664098 -2.596610
H 1.665709 2.897394 -0.106581
H 0.905809 1.866884 1.170734
H -3.542187 -3.672066 0.242953
H -3.748603 -2.705139 1.742373
H -2.367537 -3.823146 1.576244
H -4.524599 -1.699100 -0.124431
H -4.470694 0.199390 -2.293184
H -4.765190 1.069597 -0.779167
H -5.861083 -0.281510 -1.250574
H -2.684094 3.548820 -0.332833
H -3.222183 3.687548 1.351873


