%chk=000025410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025410

0 1
 I  -0.7943000      -1.582300      -1.941800    
 I   0.9410000       3.958500     -3.4400001E-02
 I   -4.720700       2.278100      0.7360000    
 O    1.256200      0.8530000       1.811800    
 O    3.079400       2.006800       1.111400    
 O    7.824800      -2.218400     -0.2570000    
 O    6.334400      -2.345800       1.457600    
 O   -4.193200     -0.8226000       1.503500    
 N   -3.540200     -0.3982000     -0.7146000    
 C    2.121600      0.3026000     -0.3508000    
 C    3.508200     -9.4999997E-03 -0.9477000    
 C    1.173100      0.9578000      -1.376600    
 C    4.401200     -0.7939000      2.6400000E-02
 C  -0.2278000       1.241100     -0.8874000    
 C    5.769700      -1.119200     -0.5733000    
 C    2.225100       1.154100      0.9082000    
 C   -1.233500      0.2853000      -1.030100    
 C  -0.5122000       2.468900     -0.2894000    
 C   -2.523700      0.5572000     -0.5751000    
 C   -1.802500       2.740700      0.1655000    
 C   -2.808200       1.784800      2.2800000E-02
 C    6.638500      -1.944700      0.3444000    
 C   -5.300700      -1.990100     -0.2922000    
 C   -4.297500      -1.004800      0.2951000    
 C   -6.164200      -2.691800      0.7537000    
 C   -7.154700      -3.667500      0.1339000    
 H    1.694600     -0.6589000     -3.5399999E-02
 H    4.011500      0.9242000      -1.228100    
 H    3.382500     -0.5949000      -1.866900    
 H    1.638400       1.872200      -1.761500    
 H    1.156700      0.3595000      -2.293300    
 H    4.548800     -0.2294000      0.9541000    
 H    3.896600      -1.726900      0.3077000    
 H    5.634500      -1.682100      -1.504000    
 H    6.300800     -0.1874000     -0.7978000    
 H   -2.024200       3.698300      0.6324000    
 H   -3.476600     -0.9437000      -1.572500    
 H   -5.941600      -1.441100     -0.9928000    
 H   -4.743100      -2.739200     -0.8678000    
 H    1.328800       1.401800       2.621600    
 H   -6.714100      -1.944800       1.338800    
 H   -5.522200      -3.232200       1.459800    
 H   -7.836500      -3.150700     -0.5489000    
 H   -7.752900      -4.148000      0.9143000    
 H   -6.633500      -4.449900     -0.4267000    
 H    8.405600      -2.766700      0.3126000    


%chk=000025410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025410

0 1
I -0.734446 -1.319692 -1.825103
I 0.670256 4.553855 -0.130415
I -5.053550 2.645015 0.052264
O 1.321215 1.361187 1.989187
O 3.375163 2.081556 1.182897
O 7.292597 -2.942354 -0.236228
O 5.705214 -3.036593 1.455030
O -4.017459 -0.523871 1.325723
N -3.592802 -0.171284 -0.944098
C 2.004161 0.514344 -0.167195
C 3.294000 -0.070232 -0.791004
C 1.217072 1.347906 -1.244395
C 4.063626 -1.013822 0.158105
C -0.235678 1.633599 -0.905790
C 5.333582 -1.570207 -0.512333
C 2.340589 1.393665 1.032367
C -1.251101 0.646324 -1.066151
C -0.685935 2.896376 -0.422623
C -2.627017 0.860651 -0.763834
C -2.036767 3.158423 -0.117206
C -3.001277 2.149461 -0.299973
C 6.074748 -2.566752 0.357404
C -5.231246 -1.908001 -0.307333
C -4.236119 -0.827916 0.122996
C -5.191755 -3.141825 0.624530
C -6.314021 -4.150221 0.304316
H 1.354093 -0.304837 0.189178
H 3.952341 0.764888 -1.102221
H 3.007469 -0.625322 -1.707567
H 1.760771 2.291257 -1.427236
H 1.260860 0.762548 -2.181518
H 4.349232 -0.473564 1.079102
H 3.414492 -1.853428 0.471863
H 5.090267 -2.078775 -1.467264
H 6.036098 -0.757078 -0.777490
H -2.340260 4.144813 0.238161
H -3.709253 -0.559169 -1.883330
H -6.243674 -1.455803 -0.264742
H -5.063329 -2.212328 -1.359875
H 1.545781 1.977515 2.739109
H -5.274150 -2.788572 1.668182
H -4.204040 -3.634935 0.537938
H -7.311361 -3.686549 0.425355
H -6.265311 -5.023704 0.979266
H -6.240283 -4.524132 -0.734731
H 7.751102 -3.602220 0.352182


