%chk=000004942.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004942

0 1
 O   -1.255800      0.2202000      0.5202000    
 O    1.201400      0.6998000       1.449400    
 O  -0.3213000       1.201800      -1.337800    
 N   -5.276500     -2.5400000E-02 -0.6170000    
 C   -2.538400      0.6835000      0.1177000    
 C   -2.891900      0.1154000      -1.253900    
 C   -3.571200      0.2471000       1.151900    
 C   -4.332600      0.4497000      -1.638800    
 C   -4.991300      0.5769000      0.6932000    
 C    1.102800     -4.1900001E-02  0.2164000    
 C   -6.653500      0.2580000      -1.021400    
 C  -0.2086000      0.5502000     -0.3062000    
 C    2.314200      0.2469000     -0.6734000    
 C   0.9949000      -1.537300      0.5228000    
 C    1.248200       2.089600       1.195400    
 C    2.149600      0.2191000      -2.039000    
 C    1.634100      -2.028900       1.637600    
 C    3.521000      0.5235000     -7.3399998E-02
 C   0.2623000      -2.332900     -0.3278000    
 C    1.351700       2.828400       2.520900    
 C    3.253500      0.4824000      -2.850000    
 C    1.535600      -3.391900       1.917300    
 C    4.624900      0.7869000     -0.8845000    
 C   0.1638000      -3.695800     -4.8000000E-02
 C    4.491000      0.7664000      -2.272800    
 C   0.8005000      -4.225300       1.074500    
 C    1.391700       4.333600       2.326900    
 H   -2.521700       1.781000      7.9000004E-02
 H   -2.752500     -0.9743000      -1.247200    
 H   -2.257100      0.4855000      -2.060900    
 H   -3.362000      0.7338000       2.112200    
 H   -3.476800     -0.8310000       1.339400    
 H   -4.432300       1.532600      -1.791000    
 H   -4.552100     -3.5900000E-02  -2.597600    
 H   -5.123800       1.666300      0.6600000    
 H   -5.691300      0.1861000       1.441600    
 H   -7.360400     -0.1403000     -0.2851000    
 H   -6.883600     -0.2327000      -1.973600    
 H   -6.839800       1.332300      -1.132800    
 H   0.3317000       2.469800      0.7328000    
 H    2.088200       2.406200      0.5731000    
 H    1.222000     -5.9599999E-02  -2.525800    
 H    2.218700      -1.400200       2.301500    
 H    3.657800      0.5209000       1.003500    
 H  -0.2284000      -1.944400      -1.214200    
 H    2.251300       2.499300       3.054800    
 H   0.5038000       2.558300       3.161900    
 H    3.153400      0.4515000      -3.931100    
 H    2.033200      -3.804800       2.789900    
 H    5.590200       1.001600     -0.4353000    
 H  -0.4058000      -4.345500     -0.7061000    
 H    5.351700      0.9667000      -2.904200    
 H   0.7249000      -5.286700       1.291400    
 H   0.4837000       4.691000       1.830800    
 H    1.469200       4.838000       3.295200    
 H    2.254100       4.629300       1.721000    


%chk=000004942-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004942

0 1
O -1.408342 -0.076090 0.166041
O 1.357588 1.018086 1.526916
O -0.543361 1.912543 -0.670390
N -5.516529 -0.280338 -0.938315
C -2.806066 0.405184 -0.117165
C -3.155214 0.177404 -1.596330
C -3.731821 -0.398879 0.800173
C -4.643462 0.517563 -1.831731
C -5.201440 -0.040401 0.490221
C 1.013993 0.230118 0.305614
C -6.948613 -0.083726 -1.234722
C -0.370041 0.779148 -0.153267
C 2.107881 0.389420 -0.768240
C 0.929402 -1.235484 0.773597
C 1.665577 2.457009 1.345574
C 1.860010 0.773919 -2.107114
C 0.835665 -1.559545 2.147078
C 3.439802 0.091720 -0.374857
C 0.924129 -2.277582 -0.185794
C 2.196809 2.957693 2.693571
C 2.923684 0.850567 -3.037742
C 0.742950 -2.909728 2.554604
C 4.500531 0.178348 -1.298100
C 0.822429 -3.624813 0.220845
C 4.245366 0.555603 -2.638987
C 0.731921 -3.947485 1.595180
C 2.526072 4.466451 2.645302
H -2.839972 1.487594 0.116909
H -2.981399 -0.884800 -1.847707
H -2.519661 0.808060 -2.242859
H -3.502142 -0.186047 1.860001
H -3.570315 -1.477061 0.622251
H -4.801024 1.619669 -1.680248
H -4.912538 0.291697 -2.880033
H -5.391890 1.029718 0.776390
H -5.871746 -0.666571 1.107199
H -7.555643 -0.752222 -0.598280
H -7.149586 -0.342201 -2.289803
H -7.297095 0.966995 -1.063493
H 0.751316 3.004328 1.045151
H 2.422955 2.582194 0.546621
H 0.847431 1.034232 -2.427547
H 0.845885 -0.751808 2.882637
H 3.630382 -0.207841 0.661958
H 1.009235 -2.037665 -1.251906
H 3.098940 2.377376 2.964996
H 1.438789 2.758064 3.474901
H 2.716605 1.148649 -4.071794
H 0.676922 -3.150187 3.622088
H 5.522461 -0.053764 -0.977704
H 0.819262 -4.421588 -0.531703
H 5.067225 0.618217 -3.361167
H 0.658497 -4.993964 1.912777
H 1.628577 5.065620 2.402428
H 2.911890 4.816288 3.619517
H 3.294117 4.685111 1.879855


