%chk=000019887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019887

1 1
 O   -1.861100      0.2625000      0.9378000    
 O   -2.406800     -0.2673000      -1.259400    
 N    2.758000     -0.8501000     -2.4100000E-02
 N   -3.944100     -0.5675000      0.4520000    
 C    1.615700      0.1674000      2.8200001E-02
 C    3.884500     -0.3703000      0.8867000    
 C    3.240800     -0.9725000      -1.466700    
 C    2.320200      -2.234500      0.4494000    
 C   0.4139000     -0.2820000      0.4630000    
 C    1.902700       1.431700     -0.3645000    
 C  -0.6269000      0.6455000      0.5108000    
 C   0.8620000       2.359000     -0.3168000    
 C  -0.4028000       1.966000      0.1210000    
 C   -2.721900     -0.2039000     -7.4699998E-02
 C   -5.034200      -1.084000     -0.3427000    
 H    3.481500     -0.2189000       1.893300    
 H    4.659000      -1.143900      0.9050000    
 H    4.315900      0.5541000      0.4931000    
 H    3.685800     -2.8500000E-02  -1.792800    
 H    4.003400      -1.757300      -1.504000    
 H    2.390000      -1.244900      -2.099400    
 H    1.542000      -2.622800     -0.2161000    
 H    3.189600      -2.898900      0.3844000    
 H    2.005300      -2.183100       1.496900    
 H   0.1781000      -1.288800      0.7784000    
 H    2.875100       1.761300     -0.7091000    
 H    1.035900       3.387100     -0.6205000    
 H   -1.208900       2.693800      0.1562000    
 H   -4.085100     -0.4666000       1.452400    
 H   -5.889800     -0.4148000     -0.2235000    
 H   -5.294500      -2.074400      3.8400002E-02
 H   -4.761000      -1.152500      -1.398200    


%chk=000019887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019887

1 1
O -2.065351 0.756012 0.082103
O -2.073771 -1.643410 0.078334
N 2.704999 -0.846957 -0.142490
N -4.035412 -0.347234 0.187662
C 1.641028 0.257132 -0.094394
C 3.633648 -0.714919 1.073539
C 3.521162 -0.714036 -1.436596
C 2.102263 -2.253443 -0.115941
C 0.281563 -0.094903 -0.030960
C 2.072995 1.600368 -0.114203
C -0.678109 0.950179 0.014536
C 1.094092 2.619170 -0.068540
C -0.276450 2.305743 -0.004321
C -2.694080 -0.552894 0.113995
C -5.002196 -1.454953 0.238010
H 3.027537 -0.808797 1.986492
H 4.390857 -1.513141 1.029855
H 4.122858 0.268070 1.056363
H 4.016290 0.265923 -1.459453
H 4.274431 -1.516666 -1.465203
H 2.834531 -0.799580 -2.291512
H 1.451906 -2.394545 -0.990704
H 2.931424 -2.976271 -0.149866
H 1.527459 -2.392403 0.810458
H -0.086782 -1.120040 -0.015929
H 3.129387 1.881320 -0.163415
H 1.409129 3.666427 -0.083262
H -1.038915 3.088057 0.031847
H -4.366002 0.619354 0.206614
H -5.688988 -1.411488 -0.624966
H -5.590459 -1.415734 1.171131
H -4.448744 -2.405440 0.205316


