%chk=000149878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149878

0 1
 O   -1.048400      -2.787200      0.7998000    
 O   -2.646300       2.362100     -0.3706000    
 O   -4.704100      0.1580000      -1.705900    
 N   0.8209000     -0.6878000      0.9243000    
 N    1.752300      0.2645000       1.064400    
 N   -4.492000      0.2459000     -0.4881000    
 C  -0.5256000     -0.4573000      0.5678000    
 C   -1.436200      -1.512500      0.5123000    
 C  -0.9425000      0.8400000      0.2694000    
 C   -2.269800       1.082100     -8.4500000E-02
 C   -2.763600      -1.270400      0.1585000    
 C   -3.180300      2.6900001E-02 -0.1400000    
 C    2.971600      0.3124000      0.3692000    
 C    3.901800       1.317600      0.6494000    
 C    3.263400     -0.6449000     -0.6066000    
 C    5.113300       1.365000     -4.0399998E-02
 C    4.474900     -0.5977000      -1.296300    
 C    5.399800      0.4074000      -1.013100    
 C  -0.5729000      -3.579600     -0.2860000    
 C   -3.116100       3.155400      0.7163000    
 H  -0.2515000       1.678900      0.3024000    
 H    1.071800      -1.633100       1.193000    
 H   -3.465300      -2.101600      0.1193000    
 H    1.609600      0.9505000       1.797800    
 H    3.691500       2.070500       1.405000    
 H    2.563200      -1.439300     -0.8516000    
 H    5.833500       2.147500      0.1799000    
 H    4.698200      -1.342900      -2.054200    
 H    6.343000      0.4444000      -1.550400    
 H   -1.368300      -3.734900      -1.021900    
 H  -0.2672000      -4.552600      0.1083000    
 H   0.2922000      -3.108600     -0.7632000    
 H   -2.324100       3.293200       1.459300    
 H   -3.993000       2.697800       1.184700    
 H   -3.401700       4.136100      0.3259000    


%chk=000149878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149878

0 1
O -0.560743 -2.861917 0.415965
O -2.087581 2.543598 0.262390
O -4.934650 -0.529502 -0.717310
N 1.124927 -0.930743 1.036639
N 2.121559 -0.029776 1.388691
N -4.160574 0.482354 -0.438741
C -0.152266 -0.523742 0.668829
C -1.102686 -1.564214 0.333500
C -0.555323 0.820965 0.621376
C -1.878114 1.175369 0.253800
C -2.396493 -1.233260 -0.026351
C -2.823819 0.138303 -0.074749
C 3.183833 0.292119 0.510172
C 4.291282 1.028616 1.014419
C 3.159105 -0.091235 -0.857003
C 5.353487 1.378231 0.156514
C 4.233385 0.263998 -1.700912
C 5.335993 0.998459 -1.206895
C -1.458628 -3.974510 0.089485
C -3.375286 3.166299 -0.100483
H 0.155474 1.615281 0.858723
H 1.333118 -1.934244 1.013462
H -3.160570 -1.973556 -0.289266
H 2.217264 0.182634 2.384153
H 4.315834 1.326489 2.070552
H 2.303874 -0.649046 -1.250702
H 6.200132 1.947855 0.556288
H 4.204000 -0.033960 -2.755264
H 6.164105 1.270504 -1.869138
H -2.321761 -3.998266 0.781148
H -0.853557 -4.884677 0.209790
H -1.820387 -3.893643 -0.952811
H -4.177033 2.833976 0.578605
H -3.663376 2.901152 -1.130517
H -3.182427 4.245889 -0.000159


