%chk=000026900.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026900

0 1
 O   -2.041900       2.384200      -1.410800    
 N   -4.333700      -1.683100      0.3021000    
 N   -1.424500      0.4595000      -2.448900    
 C   -1.170600      0.5812000      2.9800000E-02
 C   -1.485800       1.547800       1.254700    
 C   -2.087400     -0.6970000      0.1681000    
 C   0.3459000      0.2473000      1.4300000E-02
 C   -3.602100     -0.4270000      0.1589000    
 C   -1.616900       1.231200      -1.322600    
 C  -0.7815000       2.913400       1.193300    
 C   -1.216400      0.9315000       2.638800    
 C    4.466700     -0.6590000     -2.6500000E-02
 C    1.163200       1.037200     -0.7417000    
 C   0.7705000     -0.8158000      0.7578000    
 C    3.010200     -0.3389000     -1.2400000E-02
 C    2.525400      0.7375000     -0.7553000    
 C    2.132800      -1.115500      0.7443000    
 C    5.314300      0.5385000      0.5044000    
 C    4.961300     -0.9814000      -1.470800    
 C    4.892600      -1.888200      0.8432000    
 C   -4.051000      -2.572500     -0.8247000    
 C   -5.771200      -1.430900      0.4042000    
 H   -2.552600       1.798800       1.218400    
 H   -1.869500      -1.248000       1.088300    
 H   -1.809800      -1.379600     -0.6421000    
 H   -3.906100      9.9500000E-02 -0.7532000    
 H   -3.862500      0.2104000       1.009200    
 H   0.2977000       2.813600       1.349000    
 H  -0.9356000       3.455200      0.2604000    
 H   -1.156200       3.562300       1.994100    
 H  -0.1517000      0.7520000       2.812400    
 H   -1.763900     -9.9999997E-05   2.797000    
 H   -1.550900       1.620700       3.423700    
 H   0.8202000       1.894500      -1.309200    
 H   0.1294000      -1.433000       1.372300    
 H    3.187200       1.361900      -1.348700    
 H    2.456600      -1.959900       1.342800    
 H    6.382700      0.2941000      0.5217000    
 H    5.197300       1.431300     -0.1198000    
 H    5.013600      0.8063000       1.524200    
 H    4.834600     -0.1285000      -2.146700    
 H    6.025400      -1.244500      -1.478500    
 H    4.402900      -1.824700      -1.894200    
 H    5.974100      -2.060200      0.7808000    
 H    4.653700      -1.733500       1.901800    
 H    4.402100      -2.808600      0.5052000    
 H   -1.020800     -0.4705000      -2.417400    
 H   -1.668200      0.8146000      -3.367600    
 H   -4.172600      -2.075500      -1.794200    
 H   -4.729600      -3.434500     -0.8090000    
 H   -3.049400      -3.008300     -0.7633000    
 H   -6.171300     -0.9486000     -0.4951000    
 H   -5.991100     -0.7910000       1.266100    
 H   -6.316800      -2.367300      0.5656000    


%chk=000026900-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026900

0 1
O -2.507416 2.225890 -1.438653
N -4.404425 -1.682458 0.387633
N -1.193695 0.674521 -2.531091
C -1.231321 0.604745 -0.032041
C -1.540052 1.619573 1.148110
C -2.119630 -0.691412 0.092180
C 0.268489 0.226038 -0.058784
C -3.643741 -0.461120 0.011871
C -1.678922 1.267840 -1.377471
C -0.680297 2.905385 1.100755
C -1.430304 0.965408 2.545406
C 4.625644 -0.678269 0.000490
C 1.230391 1.078974 -0.672470
C 0.769046 -0.938037 0.576780
C 3.106471 -0.387410 -0.009048
C 2.605604 0.779685 -0.648941
C 2.151443 -1.236622 0.600623
C 5.370768 0.494289 0.707777
C 5.138158 -0.801346 -1.466674
C 4.970139 -1.992317 0.747257
C -4.267707 -2.779096 -0.593800
C -5.826474 -1.374725 0.651415
H -2.585566 1.944557 0.985038
H -1.926313 -1.187187 1.059007
H -1.803954 -1.397177 -0.700024
H -3.929577 -0.095976 -1.006139
H -3.933234 0.332405 0.724381
H 0.384943 2.694617 1.304845
H -0.766838 3.412988 0.124706
H -1.037261 3.611667 1.873390
H -0.421859 0.543006 2.713733
H -2.172485 0.161954 2.700136
H -1.605437 1.729257 3.325493
H 0.897927 1.993420 -1.176013
H 0.081435 -1.633778 1.067162
H 3.299553 1.474108 -1.137388
H 2.476452 -2.149720 1.108572
H 6.461656 0.309739 0.705596
H 5.189306 1.459212 0.201521
H 5.037904 0.595112 1.756960
H 4.949378 0.121284 -2.044084
H 6.228354 -0.989698 -1.476350
H 4.637919 -1.637349 -1.989282
H 6.063276 -2.155053 0.725468
H 4.659026 -1.954149 1.807683
H 4.491220 -2.870011 0.274898
H -0.462013 -0.034316 -2.499765
H -1.512741 1.033254 -3.430812
H -4.640573 -2.502551 -1.614275
H -4.842619 -3.656089 -0.245930
H -3.212308 -3.086506 -0.686361
H -6.375260 -0.997290 -0.249231
H -5.900309 -0.606433 1.441544
H -6.343374 -2.283935 1.008396


