%chk=000004633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004633

0 1
 O   -1.367400      0.9308000     -0.1987000    
 O    3.249700     -0.4193000      0.9026000    
 O   -1.365800       3.217500      6.5200001E-02
 N   -4.733100     -0.5658000     -0.3900000    
 N    4.879500       1.667900     -6.0600001E-02
 C   -3.279000     -0.5084000     -0.3853000    
 C   -5.201200      -1.800100      -1.025200    
 C   -5.259900     -0.4682000      0.9736000    
 C   -2.798900      0.9241000     -0.2149000    
 C   -4.743800      -3.024100     -0.2499000    
 C   -6.779200     -0.4577000      0.9757000    
 C    4.061900      -2.604300      0.3559000    
 C    2.900900      -1.626800      0.2399000    
 C    3.760800      -3.923200     -0.3505000    
 C    2.680900      0.7338000      0.4270000    
 C   0.6925000       2.019700     -5.2299999E-02
 C  -0.7564000       2.146100     -5.2000001E-02
 C    1.291300      0.8550000      0.4277000    
 C    3.471800       1.777500     -5.3300001E-02
 C    4.939100      -4.880400     -0.2692000    
 C    1.483400       3.063500     -0.5328000    
 C    2.873000       2.942400     -0.5331000    
 H   -2.866800     -0.8708000      -1.337100    
 H   -2.825100      -1.135600      0.3932000    
 H   -6.288100      -1.809000      -1.157800    
 H   -4.803400      -1.853600      -2.047000    
 H   -4.877600      -1.234600       1.657000    
 H   -4.957200      0.4904000       1.410000    
 H   -3.150100       1.545000      -1.048000    
 H   -3.146800       1.360800      0.7264000    
 H   -5.042500      -3.919900     -0.8081000    
 H   -5.213800      -3.116100      0.7331000    
 H   -3.658500      -3.090600     -0.1347000    
 H   -7.141800     -0.1486000       1.962600    
 H   -7.207400      -1.445400      0.7805000    
 H   -7.180600      0.2535000      0.2455000    
 H    4.285200      -2.782100       1.415300    
 H    4.964100      -2.145000     -6.7400001E-02
 H    2.006300      -2.046700      0.7137000    
 H    2.682000      -1.441500     -0.8198000    
 H    3.524200      -3.736400      -1.404500    
 H    2.880300      -4.394800      0.1012000    
 H   0.6878000      4.2700000E-02  0.8255000    
 H    5.184100      -5.113100      0.7721000    
 H    4.701200      -5.818700     -0.7800000    
 H    5.827100      -4.450900     -0.7438000    
 H    1.032800       3.976700     -0.9130000    
 H    3.477900       3.762800     -0.9110000    
 H    5.319400      0.8245000      0.2831000    
 H    5.446300       2.428700     -0.4105000    


%chk=000004633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004633

0 1
O -1.293081 0.881207 -0.284365
O 3.694759 -0.256642 -0.022039
O -1.420669 3.211694 -0.251799
N -4.658337 -0.760682 -0.246843
N 4.985823 2.063074 0.101001
C -3.181306 -0.633058 -0.250658
C -5.172966 -1.921102 -1.014321
C -5.253600 -0.568812 1.099996
C -2.777544 0.843294 -0.373617
C -4.870987 -3.326883 -0.423992
C -6.770234 -0.303832 1.064460
C 4.129365 -2.639951 -0.007988
C 3.035955 -1.573004 -0.088458
C 3.549348 -4.071724 -0.090556
C 2.869850 0.888415 -0.049894
C 0.757413 2.116774 -0.149070
C -0.717667 2.166631 -0.231557
C 1.472426 0.883376 -0.133608
C 3.604279 2.121144 0.019433
C 4.642129 -5.156184 0.021044
C 1.473733 3.338425 -0.081398
C 2.876793 3.341904 0.001531
H -2.771945 -1.183785 -1.117337
H -2.704713 -1.065424 0.660603
H -6.265950 -1.801815 -1.130233
H -4.747508 -1.856574 -2.034146
H -5.042007 -1.433440 1.779527
H -4.756651 0.307953 1.556062
H -3.099412 1.266977 -1.340770
H -3.204031 1.466367 0.432853
H -5.269174 -4.113944 -1.091468
H -5.336653 -3.461761 0.569327
H -3.782866 -3.492349 -0.316637
H -7.135708 -0.051734 2.076894
H -7.339649 -1.184580 0.716322
H -6.992846 0.541072 0.389230
H 4.686288 -2.514906 0.940793
H 4.852223 -2.480038 -0.831420
H 2.322125 -1.668656 0.756321
H 2.468655 -1.650995 -1.039521
H 3.002663 -4.194354 -1.047556
H 2.802988 -4.215462 0.717199
H 0.904816 -0.048202 -0.188111
H 5.182195 -5.076551 0.982998
H 4.209201 -6.171047 -0.040992
H 5.386122 -5.055500 -0.791320
H 0.908495 4.275638 -0.094791
H 3.423700 4.290579 0.053962
H 5.437628 1.151821 0.108842
H 5.545632 2.908350 0.152371


