%chk=000004535.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004535

0 1
 O   -2.296300     -0.9545000       1.263000    
 N    4.636600       1.526800      0.2874000    
 C  -8.2500003E-02  0.4001000     -0.3786000    
 C   0.2944000      -1.032000     -0.3959000    
 C  -0.1487000      -1.856400      0.6510000    
 C   -1.487200      0.8786000     -0.2241000    
 C  -0.9920000      -1.265800       1.745800    
 C   0.9319000       1.287500     -0.3893000    
 C   -2.461600      0.1983000      0.5357000    
 C    2.375000      0.8972000     -0.4173000    
 C    1.060800      -1.582400      -1.433800    
 C   0.1836000      -3.217100      0.6506000    
 C    3.235400       1.932100      0.3065000    
 C   -1.897400       2.023600     -0.9414000    
 C   -3.786000      0.6685000      0.5649000    
 C    1.389100      -2.938200      -1.423100    
 C   0.9521000      -3.753900     -0.3819000    
 C   -3.212600       2.490400     -0.8904000    
 C   -4.158200       1.812100     -0.1355000    
 C    5.463600       2.485200       1.006600    
 H   -1.120500      -1.996700       2.552700    
 H  -0.5147000     -0.3937000       2.212100    
 H   0.7292000       2.355400     -0.3474000    
 H    2.707600      0.8364000      -1.460900    
 H    2.567000     -6.4499997E-02  6.9700003E-02
 H    1.385800     -0.9766000      -2.276000    
 H    3.122300       2.912400     -0.1742000    
 H    2.890000       2.027400       1.344000    
 H  -0.1558000      -3.868200       1.452000    
 H   -1.199800       2.566000      -1.577100    
 H   -4.539800      0.1385000       1.143900    
 H    1.978700      -3.359800      -2.231900    
 H    1.205400      -4.810100     -0.3769000    
 H   -3.496300       3.375300      -1.452300    
 H   -5.184300       2.164800     -9.8600000E-02
 H    4.959500       1.456000     -0.6771000    
 H    5.165900       2.556600       2.057800    
 H    5.414800       3.479900      0.5516000    
 H    6.507000       2.155600      0.9829000    


%chk=000004535-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004535

0 1
O -2.244724 -0.818797 1.546191
N 4.731414 1.775518 0.202597
C -0.012339 0.404073 -0.310266
C 0.269288 -1.068455 -0.351486
C -0.161825 -1.893364 0.726237
C -1.451825 0.830689 -0.214181
C -0.858287 -1.229666 1.887787
C 0.979073 1.343822 -0.433453
C -2.446032 0.220082 0.616622
C 2.465712 1.107398 -0.573602
C 0.920805 -1.670026 -1.457016
C 0.063636 -3.287614 0.687951
C 3.285648 1.989335 0.399489
C -1.892666 1.895810 -1.056906
C -3.793974 0.659970 0.579874
C 1.147816 -3.064383 -1.489580
C 0.720031 -3.878156 -0.415657
C -3.225361 2.345990 -1.085072
C -4.187922 1.715025 -0.260439
C 5.599229 2.527220 1.126980
H -0.998657 -1.920913 2.733607
H -0.303650 -0.333811 2.231139
H 0.678648 2.402038 -0.380416
H 2.785045 1.353275 -1.612293
H 2.730095 0.049328 -0.406377
H 1.231844 -1.043231 -2.299926
H 2.979729 3.061330 0.272671
H 3.035365 1.712144 1.442415
H -0.275321 -3.911251 1.523913
H -1.159817 2.346742 -1.735153
H -4.507476 0.156444 1.239640
H 1.651240 -3.514407 -2.352461
H 0.892688 -4.959614 -0.439945
H -3.515214 3.160383 -1.757216
H -5.234003 2.039837 -0.274224
H 5.002324 1.908239 -0.781126
H 5.419379 2.183073 2.162659
H 5.443041 3.634675 1.111483
H 6.659045 2.326049 0.890040


