%chk=000027182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027182

0 1
 O    4.580400      0.5017000      0.7309000    
 N   -3.012200       1.589900     -0.6306000    
 C  -0.6992000      0.9874000      -1.209400    
 C   -1.657300       1.462400     -0.1165000    
 C   0.7053000      0.8296000     -0.6837000    
 C   -3.924000       2.042100      0.4192000    
 C    1.138700     -0.3756000     -0.1482000    
 C    1.554300       1.926600     -0.7512000    
 C   0.2639000      -1.528700     -7.1000002E-02
 C   -3.930300       1.049300       1.578200    
 C   -5.323500       2.213600     -0.1630000    
 C    2.444900     -0.4864000      0.3286000    
 C    3.305900      0.6093000      0.2653000    
 C    2.860600       1.815800     -0.2746000    
 C  -0.5252000      -1.728400       1.060000    
 C   0.2160000      -2.435700      -1.127900    
 C   -1.365400      -2.839300       1.134400    
 C  -0.6243000      -3.546600      -1.053600    
 C   -1.415100      -3.748300      7.7600002E-02
 C    5.406300       1.661300      0.6358000    
 H  -0.6918000       1.715900      -2.032500    
 H   -1.061200      6.0800001E-02  -1.669500    
 H   -1.311400       2.427800      0.2753000    
 H   -1.608900      0.7459000      0.7036000    
 H   -3.602000       3.022200      0.7941000    
 H   -3.025600       2.249900      -1.407800    
 H    1.218200       2.872500      -1.167300    
 H    2.804100      -1.422000      0.7522000    
 H   -4.049300      1.6500000E-02   1.230700    
 H   -3.024900       1.112800       2.190000    
 H   -4.767100       1.260700       2.254500    
 H   -6.019100       2.579100      0.6001000    
 H   -5.716200       1.266100     -0.5493000    
 H   -5.322900       2.939600     -0.9837000    
 H    3.475500       2.705800     -0.3537000    
 H  -0.4923000      -1.035600       1.897400    
 H   0.8259000      -2.293000      -2.016900    
 H   -1.979800      -2.997300       2.015900    
 H  -0.6631000      -4.254300      -1.876400    
 H   -2.069200      -4.613300      0.1356000    
 H    6.384000       1.396500       1.051700    
 H    5.014000       2.485400       1.241300    
 H    5.571100       1.953700     -0.4068000    


%chk=000027182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027182

0 1
O 4.661297 0.508000 0.786778
N -3.031114 1.678335 -0.604678
C -0.701628 1.124345 -1.277661
C -1.661350 1.439375 -0.101610
C 0.732552 0.910314 -0.808482
C -4.069680 1.947124 0.427316
C 1.163425 -0.283152 -0.138433
C 1.663896 1.966258 -0.945158
C 0.277126 -1.479430 0.046507
C -4.417519 0.654821 1.199402
C -5.320276 2.520251 -0.270449
C 2.477384 -0.354403 0.379147
C 3.386454 0.719452 0.232580
C 2.983499 1.894261 -0.443719
C 0.048374 -2.004454 1.347269
C -0.305399 -2.149108 -1.063188
C -0.752883 -3.152414 1.536401
C -1.104228 -3.298412 -0.876403
C -1.336148 -3.802615 0.424532
C 5.639607 1.587812 0.649579
H -0.725455 1.970488 -1.994063
H -1.111157 0.247170 -1.805816
H -1.253814 2.302686 0.483765
H -1.679583 0.570334 0.580523
H -3.707780 2.705303 1.170196
H -3.030485 2.423354 -1.317515
H 1.343303 2.883809 -1.454049
H 2.824283 -1.262851 0.881621
H -4.786281 -0.112306 0.495084
H -3.538796 0.240559 1.725233
H -5.199398 0.855043 1.955436
H -6.118773 2.726925 0.464148
H -5.704018 1.796503 -1.012835
H -5.090176 3.467419 -0.796683
H 3.664804 2.739001 -0.582438
H 0.493315 -1.498281 2.212118
H -0.104526 -1.785997 -2.077395
H -0.922379 -3.536962 2.548622
H -1.539327 -3.803806 -1.746023
H -1.958584 -4.692797 0.568959
H 6.549217 1.216980 1.144629
H 5.293556 2.513229 1.150734
H 5.856463 1.803539 -0.415182


