%chk=000121928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121928

0 1
 O   -2.021900     -0.4814000       1.011400    
 O   -1.953500       1.751600      -1.018800    
 O   -2.590000       1.824500       1.241600    
 O   0.7529000     -0.5356000     -0.1942000    
 O  -0.8084000      -3.038700      -1.306300    
 O   -2.079200      -4.675700      0.5721000    
 N    5.453500      0.4270000      0.4696000    
 C  -0.8965000       1.196200     -0.2370000    
 C  -0.4903000     -0.1555000     -0.7685000    
 C   -1.621200      -1.042400     -0.2535000    
 C   -1.544100      0.8722000       1.087600    
 C   -2.869700       2.317800     -7.4100003E-02
 C   -1.267800      -2.506200     -6.3600004E-02
 C   -4.285600       1.918100     -0.4665000    
 C   -2.706600       3.833500     -6.8000004E-02
 C   -2.475800      -3.321400      0.3845000    
 C    1.778800      0.3971000     -0.5065000    
 C    3.074000     -5.6400001E-02  0.1533000    
 C    4.223700      0.8969000     -0.1566000    
 C    6.569100       1.319000      0.1484000    
 C    5.758700     -0.9405000      4.5100000E-02
 H  -0.1617000       1.991300     -0.1362000    
 H  -0.4241000     -0.2017000      -1.861300    
 H   -2.479800     -0.9459000     -0.9315000    
 H  -0.8514000      0.9334000       1.932600    
 H  -0.4639000      -2.636300      0.6697000    
 H   -5.021800       2.315100      0.2403000    
 H   -4.531700       2.263500      -1.476100    
 H   -4.391300      0.8273000     -0.4635000    
 H   -1.687200       4.110500      0.2241000    
 H   -2.884200       4.256400      -1.062300    
 H   -3.386300       4.303700      0.6505000    
 H   -2.881800      -2.950200       1.330300    
 H   -3.263900      -3.310400     -0.3760000    
 H    1.904200      0.4564000      -1.593900    
 H    1.586100       1.393700     -0.1117000    
 H   -1.518800      -2.927700      -1.961200    
 H    3.260200      -1.071300     -0.2144000    
 H    2.922600     -0.1445000       1.237000    
 H    3.973000       1.893000      0.2289000    
 H    4.343700      0.9895000      -1.244300    
 H   -2.869300      -5.167400      0.8543000    
 H    6.354400       2.339700      0.4843000    
 H    6.780600       1.346600     -0.9268000    
 H    7.478600       1.003300      0.6718000    
 H    6.769200      -1.222000      0.3668000    
 H    5.714600      -1.064100      -1.043300    
 H    5.103400      -1.673700      0.5254000    


%chk=000121928-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121928

0 1
O -2.050405 -0.291662 0.991641
O -2.380367 2.462427 -0.511962
O -3.391299 1.696072 1.493702
O 0.788216 0.735372 0.228027
O -0.122910 -1.872103 -1.751057
O -0.763796 -4.102388 -0.396936
N 5.670153 -0.042023 0.097649
C -1.307484 1.918482 0.345939
C -0.499112 0.877934 -0.452244
C -1.390583 -0.390964 -0.342168
C -2.064122 1.112330 1.433468
C -3.692465 2.367449 0.197995
C -0.651282 -1.728183 -0.382661
C -4.644703 1.513339 -0.643791
C -4.215023 3.769768 0.512253
C -1.576829 -2.909549 -0.066776
C 1.924197 0.475641 -0.687063
C 3.166571 0.277623 0.185309
C 4.401491 -0.078555 -0.669503
C 6.844753 -0.148534 -0.792180
C 5.722379 -1.037671 1.187569
H -0.668982 2.725003 0.741340
H -0.369351 1.189253 -1.504646
H -2.157336 -0.365251 -1.143533
H -1.664881 1.139703 2.456875
H 0.180594 -1.712382 0.349091
H -5.631025 1.453366 -0.152537
H -4.770107 1.961463 -1.644614
H -4.245040 0.492243 -0.751543
H -3.458467 4.335131 1.080690
H -4.437525 4.310293 -0.423621
H -5.137152 3.704331 1.115200
H -1.865003 -2.891480 0.999679
H -2.484347 -2.871274 -0.704736
H 1.704549 -0.419160 -1.304109
H 2.050826 1.350579 -1.362464
H 0.069183 -2.843086 -1.859880
H 2.948544 -0.521009 0.918239
H 3.377012 1.202628 0.752908
H 4.495042 0.659452 -1.491309
H 4.239795 -1.080821 -1.151557
H -1.292186 -4.925793 -0.261555
H 6.815381 0.658969 -1.545739
H 6.905936 -1.126699 -1.336229
H 7.770816 -0.030565 -0.201198
H 6.686808 -0.946999 1.718550
H 5.624515 -2.093961 0.824260
H 4.918524 -0.850437 1.918731


