%chk=000046130.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046130

0 1
 O    4.314200      0.5391000      0.6231000    
 O   -3.378200      0.2745000     -0.1733000    
 O   -1.900200      -1.385100      0.3669000    
 N   -6.879300     -0.8785000     -0.3211000    
 N   -1.195400      0.8118000     -5.2299999E-02
 C    6.359400     -0.4440000     -0.1411000    
 C    4.932200     -0.7039000      0.3198000    
 C    7.080500      -1.740000     -0.5003000    
 C   0.9761000       1.898600     -5.6699999E-02
 C   -5.758300      4.7200002E-02 -0.3874000    
 C    2.955700      0.6115000      0.4554000    
 C   0.1908000      0.7585000      0.1141000    
 C    2.358600       1.825200      0.1141000    
 C   -4.452500     -0.6682000     -7.9899997E-02
 C    2.170200     -0.5286000      0.6263000    
 C   0.7877000     -0.4553000      0.4559000    
 C    8.490800      -1.472600      -1.001100    
 C   0.3634000       3.211800     -0.4214000    
 C   -8.018500     -0.3685000      -1.088100    
 C   -7.272900      -1.117300       1.069600    
 C   -2.124400     -0.2161000      7.7600002E-02
 H    6.342900      0.2326000      -1.004900    
 H    6.905900      8.9599997E-02  0.6466000    
 H    4.936000      -1.332000       1.218200    
 H    4.408900      -1.229100     -0.4899000    
 H    6.521800      -2.275800      -1.276500    
 H    7.126900      -2.395600      0.3770000    
 H   -5.891900      0.9176000      0.2688000    
 H   -5.660700      0.4628000      -1.400000    
 H    2.981100       2.707000     -1.6400000E-02
 H   -4.283000      -1.477000     -0.8014000    
 H   -4.454500      -1.085200      0.9326000    
 H    2.593200      -1.485000      0.9193000    
 H   0.2505000      -1.379700      0.6127000    
 H    8.476400     -0.8473000      -1.899500    
 H    8.989400      -2.414400      -1.250800    
 H    9.088200     -0.9641000     -0.2376000    
 H   -1.591400       1.713700     -0.3008000    
 H  -0.1517000       3.142200      -1.385300    
 H  -0.3438000       3.534500      0.3500000    
 H    1.118600       3.999900     -0.5160000    
 H   -7.750400     -0.2486000      -2.143800    
 H   -8.372200      0.5968000     -0.7080000    
 H   -8.852300      -1.078900      -1.057800    
 H   -6.467200      -1.584100       1.644100    
 H   -8.116000      -1.816700       1.110600    
 H   -7.573500     -0.1946000       1.579600    


%chk=000046130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046130

0 1
O 4.361579 0.527407 -0.220748
O -3.510970 0.277939 -0.258711
O -2.029021 -1.539354 -0.007205
N -7.128354 -0.664785 -0.085250
N -1.294748 0.704675 -0.275100
C 6.589083 -0.415010 -0.164158
C 5.096146 -0.745401 -0.107582
C 7.467707 -1.685140 -0.084004
C 0.889526 1.798372 -0.373443
C -5.916729 0.185564 -0.132161
C 2.956581 0.467682 -0.217360
C 0.126849 0.592838 -0.246497
C 2.294622 1.711933 -0.356292
C -4.648200 -0.675468 -0.187609
C 2.195685 -0.717522 -0.088110
C 0.785863 -0.650820 -0.102971
C 8.976399 -1.362233 -0.137196
C 0.206253 3.147719 -0.525121
C -8.328546 0.022280 -0.603357
C -7.370336 -1.265454 1.243221
C -2.228437 -0.308378 -0.164434
H 6.799545 0.130690 -1.104073
H 6.838996 0.270466 0.668280
H 4.835256 -1.242680 0.850732
H 4.807000 -1.417306 -0.943581
H 7.206830 -2.367994 -0.918220
H 7.240965 -2.234512 0.852671
H -5.849645 0.889470 0.734772
H -5.956168 0.801838 -1.048677
H 2.905116 2.615683 -0.452666
H -4.648620 -1.318629 -1.084593
H -4.520403 -1.315503 0.703051
H 2.675667 -1.693599 0.024565
H 0.190728 -1.560961 -0.003316
H 9.238054 -0.845053 -1.079249
H 9.587427 -2.281061 -0.074395
H 9.269920 -0.702181 0.700434
H -1.692394 1.637340 -0.396700
H -0.423983 3.195792 -1.436195
H -0.439009 3.387046 0.344064
H 0.951624 3.955315 -0.606034
H -8.144086 0.372384 -1.634294
H -8.641363 0.903605 0.012942
H -9.175307 -0.686958 -0.631687
H -6.494178 -1.850703 1.570190
H -8.229387 -1.957045 1.183196
H -7.592437 -0.503588 2.033771


