%chk=000090622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090622

0 1
 O   -3.459500       1.330700      0.6082000    
 O    4.330200     -0.3212000       1.782900    
 O    4.870500      0.3494000     -0.2363000    
 N   -1.327400       1.527700     -0.3096000    
 N   -2.080900     -0.5468000      0.6243000    
 N    4.020200      0.1626000      0.6674000    
 C   -2.373500      0.8109000      0.3291000    
 C   -1.651100       2.627900      -1.227100    
 C   5.2299999E-02   1.175700     -5.7399999E-02
 C   -2.706500      -1.191300       1.786200    
 C   -1.170500      -1.292200     -0.2162000    
 C   -1.736900       3.952200     -0.4875000    
 C   0.3721000      0.6495000       1.166400    
 C   0.9665000       1.387100      -1.055900    
 C   -4.026000      -1.842800       1.408400    
 C   -1.093300     -0.9568000      -1.542500    
 C  -0.4337000      -2.294600      0.3580000    
 C    1.702900      0.3098000       1.409600    
 C    2.297300       1.047600     -0.8128000    
 C    2.665600      0.5090000      0.4200000    
 C  -0.2155000      -1.676000      -2.353400    
 C   0.4441000      -3.013900     -0.4530000    
 C   0.5533000      -2.704600      -1.808800    
 H  -0.9762000       2.701000      -2.079300    
 H   -2.640900       2.415800      -1.651500    
 H   -2.055300      -1.899200       2.297800    
 H   -2.919200     -0.4027000       2.519300    
 H  -0.3274000      0.5589000       1.990900    
 H   0.7308000       1.764900      -2.041900    
 H   -2.474600       3.913000      0.3203000    
 H  -0.7710000       4.216100     -4.4599999E-02
 H   -2.027500       4.753100      -1.174500    
 H   -4.718800      -1.118800      0.9679000    
 H   -3.871700      -2.643800      0.6780000    
 H   -4.503500      -2.275100       2.293200    
 H   -1.733400     -0.2243000      -2.023100    
 H  -0.4496000      -2.551900       1.408600    
 H    1.956600     -9.0999998E-02   2.387700    
 H    3.019000       1.207700      -1.609800    
 H  -0.1434000      -1.447500      -3.412800    
 H    1.049600      -3.809000     -2.7799999E-02
 H    1.235700      -3.265500      -2.440600    


%chk=000090622-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090622

0 1
O -3.305114 1.357260 0.874214
O 4.755921 0.216218 1.766213
O 5.193003 1.237545 -0.230165
N -1.233990 1.439870 -0.233596
N -2.070882 -0.621266 0.716525
N 4.374058 0.795510 0.671591
C -2.261757 0.747003 0.486742
C -1.707168 2.598100 -1.051627
C 0.153837 1.256186 -0.011232
C -3.027737 -1.271956 1.663626
C -1.277624 -1.479033 -0.135456
C -1.412698 3.962755 -0.400554
C 0.640823 0.668712 1.196687
C 1.105071 1.711500 -0.974123
C -4.283425 -1.817135 0.954931
C -1.365301 -1.372248 -1.546849
C -0.449497 -2.474621 0.439367
C 2.014741 0.519022 1.422291
C 2.482288 1.560069 -0.756180
C 2.932715 0.958580 0.440209
C -0.614950 -2.238984 -2.369406
C 0.286452 -3.349190 -0.388961
C 0.211862 -3.233118 -1.795873
H -1.257152 2.531728 -2.059842
H -2.795860 2.476547 -1.164800
H -2.491449 -2.085949 2.182164
H -3.317690 -0.512845 2.408451
H -0.068655 0.352658 1.965337
H 0.768931 2.173440 -1.905666
H -1.928478 4.034693 0.571465
H -0.331123 4.116294 -0.240285
H -1.780772 4.776641 -1.051487
H -4.847299 -0.991238 0.489877
H -4.015402 -2.553549 0.176503
H -4.942557 -2.317109 1.687892
H -2.026411 -0.621600 -1.992780
H -0.365598 -2.554288 1.528761
H 2.394675 0.080816 2.348833
H 3.215313 1.892676 -1.495813
H -0.688909 -2.148687 -3.458805
H 0.928199 -4.111283 0.066154
H 0.789007 -3.908125 -2.436534


