%chk=000102624.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102624

0 1
 O    2.372900       2.707700     -0.4736000    
 O    3.760100      -1.026100     -0.2890000    
 O    3.794900      0.8872000       1.005200    
 N  -0.5329000     -9.4400004E-02  9.5299996E-02
 C   0.8397000     -0.3257000      0.5738000    
 C    1.870700      0.3499000     -0.3360000    
 C  -0.8464000       1.342300      9.9100001E-02
 C   8.1100002E-02   2.114800     -0.8331000    
 C    1.525300       1.817400     -0.5036000    
 C   -1.490700     -0.8254000      0.9256000    
 C    3.243800      0.1293000      0.2183000    
 C   -2.902900     -0.6609000      0.4299000    
 C   -3.677000      0.3873000      0.9077000    
 C   -3.410500      -1.559500     -0.4981000    
 C    5.077200      -1.360400      0.1602000    
 C   -4.985200      0.5399000      0.4485000    
 C   -4.718700      -1.406700     -0.9574000    
 C   -5.506000     -0.3569000     -0.4841000    
 C    5.504500      -2.659700     -0.4886000    
 H    1.045400      -1.404200      0.5894000    
 H   0.9534000      3.1500001E-02   1.607200    
 H    1.830500     -7.8500003E-02  -1.346900    
 H  -0.7814000       1.756000       1.114300    
 H   -1.844600       1.550000     -0.2924000    
 H  -9.5500000E-02   3.190400     -0.7271000    
 H  -9.1399997E-02   1.839700      -1.879700    
 H   -1.431600     -0.5112000       1.977300    
 H   -1.245600      -1.896100      0.9231000    
 H   -3.292100       1.084300       1.646900    
 H   -2.805500      -2.379300     -0.8750000    
 H    5.772100     -0.5607000     -0.1194000    
 H    5.073200      -1.474400       1.249900    
 H   -5.599500       1.354900      0.8198000    
 H   -5.124300      -2.104700      -1.683900    
 H   -6.524900     -0.2385000     -0.8412000    
 H    6.509500      -2.945800     -0.1663000    
 H    4.808200      -3.465200     -0.2327000    
 H    5.495900      -2.566700      -1.579600    


%chk=000102624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102624

0 1
O 2.782798 1.761522 -0.914123
O 3.925446 -1.195653 -0.341554
O 3.471970 -0.294987 1.761135
N -0.679253 0.039444 0.473837
C 0.627024 -0.289793 1.082823
C 1.741747 -0.280459 -0.003228
C -0.685722 1.404502 -0.099444
C 0.367361 1.517552 -1.230613
C 1.742800 1.077974 -0.745812
C -1.822596 -0.215943 1.384867
C 3.108699 -0.574044 0.595650
C -3.165638 -0.246351 0.660319
C -4.315703 0.330513 1.252228
C -3.292187 -0.894214 -0.594789
C 5.347490 -1.420925 0.071216
C -5.572944 0.255844 0.608586
C -4.544940 -0.966406 -1.242275
C -5.691436 -0.393520 -0.641398
C 6.048063 -2.082070 -1.110649
H 0.568374 -1.298690 1.529425
H 0.919921 0.416602 1.896097
H 1.499516 -1.052301 -0.758670
H -0.472921 2.177979 0.681329
H -1.689057 1.611796 -0.508914
H 0.434730 2.550626 -1.611376
H 0.056941 0.852397 -2.060221
H -1.871182 0.529812 2.217616
H -1.643133 -1.202172 1.858251
H -4.227955 0.841797 2.219388
H -2.395257 -1.325382 -1.053621
H 5.783655 -0.439910 0.330708
H 5.349319 -2.053405 0.977429
H -6.454365 0.707193 1.078112
H -4.629884 -1.469561 -2.212401
H -6.664025 -0.449873 -1.143139
H 7.109414 -2.264438 -0.861665
H 5.578204 -3.049321 -1.358543
H 6.006425 -1.434536 -2.002782


