%chk=000003308.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003308

0 1
 O   -2.401000       1.178500     -0.6286000    
 O   -4.191700      -2.108400       1.150600    
 O   -4.732200      3.1900000E-02  0.5957000    
 N   0.6384000     -0.8171000      8.9599997E-02
 C   -1.785600     -7.9899997E-02 -0.2428000    
 C  -0.3129000      0.1487000     -8.7399997E-02
 C   0.3135000       1.376200     -6.5499999E-02
 C  -0.4678000       2.627000     -0.2318000    
 C   -2.080900      -1.056200      -1.384800    
 C   -2.419400     -0.5850000       1.056500    
 C    1.704000       1.153100      0.1167000    
 C   -1.943600       2.342000      8.1900001E-02
 C    1.881100     -0.2316000      0.2116000    
 C    3.137500     -0.8192000      0.3977000    
 C   -1.528800     -0.5458000      -2.699900    
 C    2.834800       1.988600      0.2112000    
 C   -3.897400     -0.8067000      0.9002000    
 C    3.331900      -2.295300      0.5012000    
 C    4.243500      3.0300001E-02  0.4884000    
 C    4.096800       1.412800      0.3968000    
 C    3.580000      -2.944000     -0.8577000    
 H  -9.1200002E-02   3.425400      0.4153000    
 H  -0.3733000       2.956400      -1.273400    
 H   -3.161200      -1.179600      -1.526500    
 H   -1.666000      -2.049900      -1.176000    
 H   -1.940100      -1.519800       1.376000    
 H   -2.289900      0.1187000       1.886800    
 H   -2.108300       2.211800       1.157000    
 H   -2.557300       3.189500     -0.2404000    
 H   0.4596000      -1.811300      0.1221000    
 H   -1.937300      0.4329000      -2.970600    
 H  -0.4370000     -0.4772000      -2.698200    
 H   -1.800400      -1.239600      -3.503500    
 H    2.736300       3.068200      0.1416000    
 H    4.174400      -2.516200       1.168500    
 H    2.455700      -2.759900      0.9690000    
 H    5.239900     -0.3822000      0.6309000    
 H    4.971900       2.053200      0.4698000    
 H    2.735400      -2.779400      -1.535300    
 H    3.717400      -4.023600     -0.7414000    
 H    4.478000      -2.535700      -1.333600    
 H   -5.150900      -2.291000       1.056300    


%chk=000003308-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003308

0 1
O -2.445489 1.019385 -0.692853
O -4.595112 -1.483482 0.449574
O -4.450552 0.398609 1.797065
N 0.718091 -0.883588 0.097726
C -1.756981 -0.226255 -0.275670
C -0.288177 0.081246 -0.082490
C 0.277438 1.353413 -0.049162
C -0.561600 2.596282 -0.209088
C -2.014719 -1.233396 -1.427407
C -2.378629 -0.738509 1.087725
C 1.704315 1.183224 0.147983
C -2.040006 2.234263 0.055022
C 1.954811 -0.232505 0.237742
C 3.246187 -0.781212 0.439307
C -1.431332 -0.780260 -2.779905
C 2.795078 2.084739 0.266519
C -3.874173 -0.515812 1.169450
C 3.481509 -2.283668 0.490125
C 4.301680 0.150783 0.555890
C 4.084391 1.557421 0.469974
C 3.481508 -2.945994 -0.915676
H -0.250960 3.387806 0.501837
H -0.450690 3.016380 -1.228524
H -3.106387 -1.377290 -1.507393
H -1.591312 -2.216855 -1.134980
H -2.156583 -1.814433 1.200124
H -1.921312 -0.192800 1.928284
H -2.219607 2.085833 1.138635
H -2.726688 3.013290 -0.313611
H 0.582238 -1.891469 0.077680
H -1.858443 0.194541 -3.068054
H -0.332662 -0.669848 -2.733197
H -1.671007 -1.514875 -3.569984
H 2.637495 3.167144 0.202147
H 4.453109 -2.484171 0.978529
H 2.712527 -2.772687 1.123985
H 5.319619 -0.224534 0.719196
H 4.940086 2.234872 0.568412
H 2.528363 -2.772864 -1.449322
H 3.638114 -4.037817 -0.838873
H 4.287912 -2.524946 -1.541715
H -5.566149 -1.269360 0.508973


