%chk=000066696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066696

0 1
 O    3.064100       2.109600     -0.8931000    
 O   -1.111000     -0.3174000       1.426400    
 O    1.068900      -2.457600      0.1485000    
 N    1.620600     -0.2638000     -0.4861000    
 N   -5.987800       1.087000       1.638500    
 C  -0.6297000      -1.076800     -0.8012000    
 C   -2.952200     -0.2220000     -3.5799999E-02
 C    2.994000     -0.1723000     -0.1555000    
 C   -1.563700     -0.5172000      0.2808000    
 C   0.7860000      -1.362600     -0.3306000    
 C    3.679700       1.012700     -0.3676000    
 C   -3.799600      0.2869000      0.9484000    
 C   -3.436200     -0.4474000      -1.324500    
 C    3.624800      -1.284400      0.3790000    
 C   -5.131000      0.5707000      0.6439000    
 C    5.032800       1.087800     -3.6800001E-02
 C   -4.767700     -0.1639000      -1.628700    
 C   -5.615100      0.3452000     -0.6446000    
 C    4.977700      -1.209400      0.7098000    
 C    5.681800     -2.3300000E-02  0.5018000    
 C    2.463700       3.018000      2.7300000E-02
 H   -1.040200      -2.025400      -1.166400    
 H  -0.5898000     -0.3687000      -1.636900    
 H    1.217200      0.5827000     -0.8812000    
 H   -3.434100      0.4674000       1.956900    
 H   -2.814400     -0.8420000      -2.121500    
 H    3.157100      -2.238800      0.5673000    
 H    5.588100       2.008100     -0.1966000    
 H   -5.145200     -0.3393000      -2.632000    
 H   -6.650400      0.5624000     -0.8945000    
 H    5.484900      -2.074000       1.128400    
 H    6.735400      3.5000000E-02  0.7590000    
 H   -5.638400       1.249200       2.573600    
 H   -6.953500       1.291000       1.418500    
 H    1.704900       2.514300      0.6344000    
 H    1.980400       3.815100     -0.5442000    
 H    3.225400       3.464400      0.6744000    


%chk=000066696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066696

0 1
O 2.433167 1.997330 0.410534
O -0.897306 1.162784 -0.372571
O 1.149595 -2.459591 -1.312275
N 1.471686 -0.242558 -0.585702
N -5.685956 1.818052 1.106724
C -0.676022 -0.882426 -1.650200
C -2.932583 -0.110327 -0.545857
C 2.802035 -0.300437 -0.096381
C -1.476497 0.113757 -0.812147
C 0.738386 -1.270211 -1.143001
C 3.330136 0.914010 0.446458
C -3.626707 0.920323 0.138972
C -3.626571 -1.287316 -0.944012
C 3.620518 -1.455504 -0.115249
C -5.009066 0.801746 0.435248
C 4.641336 0.966972 0.959125
C -5.002106 -1.407475 -0.648289
C -5.693215 -0.384999 0.029212
C 4.937039 -1.397560 0.398683
C 5.447817 -0.196911 0.933761
C 2.866547 3.266987 0.989552
H -1.203391 -1.831793 -1.809310
H -0.539620 -0.419256 -2.650167
H 0.973578 0.659273 -0.464776
H -3.059637 1.810654 0.434218
H -3.117803 -2.101977 -1.465081
H 3.210795 -2.378544 -0.529046
H 5.040482 1.897509 1.373837
H -5.543657 -2.311411 -0.947823
H -6.762039 -0.498048 0.249209
H 5.558968 -2.298711 0.378431
H 6.467455 -0.156094 1.331779
H -5.198552 2.658354 1.403478
H -6.673753 1.732315 1.326462
H 3.115365 3.152258 2.062422
H 2.006611 3.942965 0.876082
H 3.740462 3.677063 0.446802


