%chk=000002757.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002757

0 1
 O   0.1210000      0.2088000      -2.753300    
 N   -2.356300      0.6086000      -1.377400    
 N    3.340600      -2.027700      0.2285000    
 C   -2.531900      0.6811000       1.214800    
 C   -1.213300     -0.1262000     -0.7731000    
 C   -1.248900     -4.5600001E-02  0.7690000    
 C   -3.773200     -5.7000001E-03  0.5995000    
 C   -2.457900       2.100600      0.6258000    
 C   -3.607300     -6.0199998E-02 -0.9383000    
 C   -2.391300       2.011000     -0.9062000    
 C   0.1342000      0.3342000      -1.334900    
 C   -4.031900      -1.361300       1.185200    
 C    1.280100     -0.4667000     -0.7700000    
 C    2.325100      0.1373000     -6.9799997E-02
 C   -5.145600      -1.689700       1.848800    
 C    1.256100      -1.833700     -0.9739000    
 C    3.352900     -0.6951000      0.4208000    
 C    2.370100       1.524600      0.1493000    
 C    2.305600      -2.565600     -0.4565000    
 C    4.399300     -0.1004000       1.120500    
 C    3.428500       2.092600      0.8525000    
 C    4.444300       1.278800       1.338500    
 H   -2.593800      0.7232000       2.308000    
 H   -1.356300      -1.175900      -1.063400    
 H  -0.3913000      0.5042000       1.173700    
 H   -1.205500      -1.052600       1.199200    
 H   -4.640500      0.6364000      0.8130000    
 H   -1.572100       2.621600       1.008800    
 H   -3.334100       2.685000      0.9305000    
 H   -3.625400      -1.090000      -1.318800    
 H   -4.464100      0.4325000      -1.416900    
 H   -3.265100       2.515000      -1.339800    
 H   -1.533800       2.577800      -1.284500    
 H   0.2410000       1.398900      -1.156500    
 H   -3.277700      -2.131700       1.046900    
 H  -0.6532000      0.6950000      -3.085100    
 H   -5.275700      -2.692800       2.240300    
 H   -5.941800     -0.9725000       2.013900    
 H   0.4725000      -2.336400      -1.528400    
 H    1.617000       2.222700     -0.1933000    
 H    2.349900      -3.642100     -0.5854000    
 H    5.207300     -0.7161000       1.511600    
 H    3.460400       3.164700       1.021500    
 H    5.273800       1.713500       1.888500    


%chk=000002757-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002757

0 1
O -0.176398 0.080437 -2.844164
N -2.358108 0.509502 -1.415612
N 3.470985 -2.170202 -0.145016
C -2.675598 1.080376 1.091031
C -1.163728 0.025325 -0.626421
C -1.237210 0.542570 0.841282
C -3.762169 0.036401 0.653846
C -2.865777 2.359605 0.232534
C -3.570174 -0.200230 -0.903954
C -2.548526 1.991035 -1.258701
C 0.122498 0.383477 -1.444985
C -3.695513 -1.255447 1.438192
C 1.322080 -0.439644 -0.991890
C 2.298949 0.038628 -0.041709
C -4.675561 -1.728770 2.247808
C 1.477853 -1.734376 -1.501124
C 3.356146 -0.878150 0.356809
C 2.306338 1.359992 0.520970
C 2.554438 -2.557429 -1.053909
C 4.343321 -0.453914 1.303633
C 3.288221 1.749928 1.434635
C 4.311534 0.835008 1.837909
H -2.808553 1.312403 2.162640
H -1.237508 -1.079879 -0.644712
H -0.516532 1.363741 1.016015
H -0.975631 -0.260164 1.552131
H -4.753559 0.498588 0.830983
H -2.188868 3.157266 0.591835
H -3.901047 2.735699 0.336666
H -3.460661 -1.276819 -1.125098
H -4.447542 0.168536 -1.464537
H -3.368427 2.292070 -1.934157
H -1.634629 2.495180 -1.617629
H 0.335936 1.468306 -1.337749
H -2.775516 -1.850439 1.317298
H -1.184281 0.176435 -2.886511
H -4.571062 -2.677648 2.785625
H -5.613711 -1.178260 2.396165
H 0.783121 -2.094053 -2.265098
H 1.545898 2.085948 0.214325
H 2.670107 -3.572789 -1.452168
H 5.116602 -1.178682 1.576335
H 3.280694 2.766968 1.842220
H 5.073268 1.153570 2.557859


