%chk=000006257.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006257

0 1
 O    2.821400     -0.6855000     -0.7413000    
 O   6.8000004E-02 -0.5204000     -0.4563000    
 O    4.333800       1.014700      -1.008400    
 O   -1.229300       1.911900     -0.1042000    
 N    3.258000      0.6317000       1.017400    
 C    2.161900      -1.283200      0.3927000    
 C    2.219600     -0.2291000       1.477900    
 C   0.7475000      -1.674100      7.6000001E-03
 C    3.555200      0.3877000     -0.3040000    
 C   -1.289500     -0.4763000     -0.2592000    
 C   -1.930600      0.7442000     -8.4799998E-02
 C   -2.007800      -1.665700     -0.2371000    
 C   -3.310800      0.7758000      0.1149000    
 C   -3.387900      -1.634200     -3.7300002E-02
 C   -4.039400     -0.4134000      0.1387000    
 C   -1.970200       3.116100      8.3300002E-02
 H    2.735300      -2.173500      0.6772000    
 H    1.308000      0.3673000       1.576600    
 H    2.478600     -0.6443000       2.455700    
 H   0.2696000      -2.118700      0.8899000    
 H   0.7785000      -2.406300     -0.8074000    
 H    3.658100       1.391200       1.559000    
 H   -1.545900      -2.634400     -0.4005000    
 H   -3.882900       1.685800      0.2583000    
 H   -3.956900      -2.559300     -2.5900001E-02
 H   -5.114300     -0.3900000      0.2926000    
 H   -2.436800       3.152800       1.073600    
 H   -2.692700       3.275400     -0.7244000    
 H   -1.255400       3.944400      3.7999999E-02


%chk=000006257-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006257

0 1
O 2.770192 -0.841855 -0.810754
O -0.010194 -0.426971 0.339212
O 4.111140 0.950032 -1.539423
O -1.306092 1.869683 0.370610
N 3.444013 0.689188 0.726742
C 2.235085 -1.309168 0.498577
C 2.534913 -0.154944 1.512610
C 0.758478 -1.669915 0.341278
C 3.516292 0.362286 -0.619802
C -1.392461 -0.511713 0.118456
C -2.092776 0.736516 0.128378
C -2.100033 -1.711960 -0.103664
C -3.487137 0.750799 -0.094247
C -3.499643 -1.685581 -0.322784
C -4.189260 -0.458955 -0.320054
C -1.976772 3.170753 0.317796
H 2.795196 -2.227801 0.756651
H 1.606323 0.381457 1.775620
H 3.019033 -0.541148 2.426846
H 0.434048 -2.319852 1.182316
H 0.625804 -2.217086 -0.612777
H 3.827606 1.570067 1.060930
H -1.573418 -2.670883 -0.112728
H -4.034283 1.698132 -0.093557
H -4.036518 -2.623691 -0.496849
H -5.270244 -0.431250 -0.492095
H -2.752975 3.258172 1.103461
H -2.432156 3.348097 -0.675915
H -1.181060 3.908189 0.497764


