%chk=000050061.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050061

0 1
 O    1.945600       1.128200      -1.011000    
 O   -2.434000     -0.3700000     -6.9499999E-02
 O   -2.807500       1.745000      0.7163000    
 N   -5.379600      -2.573500      0.2091000    
 N  -0.7297000       1.098500     -0.1576000    
 C    4.319400      -1.543200      0.1488000    
 C    4.427300      -3.054100     -7.5000003E-02
 C    3.126800     -0.9071000     -0.5635000    
 C    5.606700      -3.694600      0.6580000    
 C    3.080000      0.5985000     -0.3390000    
 C    5.712600      -5.179800      0.3460000    
 C    1.378900       2.255000     -0.4740000    
 C   5.4400001E-02   2.249300     -4.8900001E-02
 C   -4.021100      -2.170300     -0.1225000    
 C   -3.784500     -0.7174000      0.2578000    
 C    2.152400       3.405900     -0.3619000    
 C  -0.5025000       3.407100      0.4945000    
 C   -5.595800      -3.984900     -0.1184000    
 C   -6.354900      -1.736600     -0.4941000    
 C    1.595500       4.563500      0.1816000    
 C   0.2682000       4.564100      0.6097000    
 C   -2.058500      0.9162000      0.2137000    
 H    5.244600      -1.065200     -0.1965000    
 H    4.244200      -1.345700       1.225300    
 H    4.521000      -3.247000      -1.151100    
 H    3.496300      -3.533700      0.2518000    
 H    2.191200      -1.358900     -0.2110000    
 H    3.173500      -1.113700      -1.639900    
 H    5.490800      -3.556500       1.739000    
 H    6.539300      -3.198800      0.3649000    
 H    3.983800       1.068100     -0.7438000    
 H    3.028600      0.8067000      0.7377000    
 H    6.560000      -5.619500      0.8813000    
 H    5.864300      -5.346200     -0.7252000    
 H    4.805100      -5.710300      0.6517000    
 H   -3.297000      -2.791000      0.4212000    
 H   -3.799100      -2.313200      -1.188800    
 H   -4.431500     -3.6899999E-02 -0.3043000    
 H   -3.943700     -0.5705000       1.333000    
 H    3.184800       3.423000     -0.6995000    
 H   -1.520400       3.488800      0.8482000    
 H  -0.2671000      0.2873000     -0.5611000    
 H   -4.887600      -4.618800      0.4269000    
 H   -5.481700      -4.182300      -1.190500    
 H   -6.598800      -4.302700      0.1875000    
 H   -6.158600      -1.678900      -1.571000    
 H   -6.400100     -0.7253000     -7.8500003E-02
 H   -7.366900      -2.139100     -0.3627000    
 H    2.194800       5.465000      0.2694000    
 H  -0.1644000       5.466500       1.032200    


%chk=000050061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050061

0 1
O 1.635907 0.736503 0.173847
O -2.712093 -0.237385 0.191662
O -3.140221 2.081395 0.205698
N -5.788003 -2.355605 -0.053558
N -0.949543 1.173316 0.200512
C 4.636467 -1.621708 0.071101
C 4.746942 -3.162856 0.051363
C 3.170055 -1.133069 0.123484
C 6.205968 -3.669170 -0.016181
C 3.069378 0.393192 0.142982
C 6.306030 -5.209685 -0.036061
C 1.276590 2.099858 0.186316
C -0.134283 2.331152 0.200804
C -4.355667 -1.979699 -0.077242
C -4.176886 -0.483957 0.214254
C 2.181923 3.178647 0.184893
C -0.618945 3.659105 0.214211
C -5.995008 -3.788960 0.236229
C -6.523646 -1.928905 -1.262455
C 1.685595 4.505120 0.198283
C 0.294607 4.739182 0.212888
C -2.329393 1.120359 0.200789
H 5.135146 -1.209164 -0.830804
H 5.194354 -1.227207 0.945998
H 4.181882 -3.559694 -0.817675
H 4.256979 -3.577826 0.956664
H 2.670068 -1.537534 1.024665
H 2.614589 -1.517072 -0.753895
H 6.771164 -3.271527 0.851500
H 6.693952 -3.254189 -0.921785
H 3.532126 0.836611 -0.763158
H 3.567225 0.816128 1.040201
H 7.357497 -5.546413 -0.090416
H 5.770878 -5.629962 -0.908470
H 5.857390 -5.648488 0.875071
H -3.830436 -2.550401 0.710010
H -3.860513 -2.227929 -1.049272
H -4.658155 0.165423 -0.537766
H -4.578984 -0.226763 1.209586
H 3.261103 3.001187 0.173693
H -1.697907 3.827209 0.224813
H -0.448842 0.279704 0.193928
H -5.513836 -4.050183 1.195265
H -5.586958 -4.468995 -0.554673
H -7.076697 -3.993049 0.331833
H -6.156297 -2.427327 -2.196090
H -6.440773 -0.837812 -1.402677
H -7.595165 -2.169310 -1.144673
H 2.389218 5.344270 0.197265
H -0.089684 5.764484 0.223340


