%chk=000029549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029549

0 1
 O    2.180200      -2.145500     -0.2592000    
 O   0.7923000       2.474100      4.6999998E-02
 O    4.227500      -1.453700      0.5341000    
 O  -0.1467000       4.510800     -0.4721000    
 N   0.1111000     -0.2594000      5.3300001E-02
 N    3.958300      -2.126800      -1.648000    
 N    1.215000       4.257200       1.363200    
 C    1.088200     -0.4921000       1.098300    
 C   0.5232000      0.4156000      -1.161200    
 C   -1.227000     -0.6726000      0.2220000    
 C    1.602600      -1.919400       1.020400    
 C   0.1613000       1.889200      -1.085200    
 C   -2.163000     -0.4340000     -0.7843000    
 C   -1.613700      -1.321500       1.394500    
 C   -3.485700     -0.8443000     -0.6178000    
 C   -2.936400      -1.731700       1.561000    
 C   -3.872500      -1.493000      0.5548000    
 C   -4.486900     -0.5892000      -1.693000    
 C    3.516100      -1.871100     -0.3737000    
 C   0.5562000       3.807500      0.2457000    
 H   0.7050000     -0.2501000       2.095800    
 H    1.937100      0.1898000      0.9596000    
 H   0.1326000     -5.9999999E-02  -2.067400    
 H    1.614100      0.3459000      -1.261000    
 H   0.8012000      -2.654600       1.137700    
 H    2.318400      -2.117600       1.827200    
 H  -0.9205000       2.039900      -1.009500    
 H   0.5170000       2.390600      -1.993100    
 H   -1.915700      6.1200000E-02  -1.717000    
 H  -0.9382000      -1.535500       2.215100    
 H   -3.238500      -2.236900       2.473900    
 H   -4.899200      -1.819500      0.6974000    
 H   -4.369700      0.4209000      -2.100000    
 H   -4.362200      -1.315200      -2.502700    
 H   -5.512300     -0.6670000      -1.316000    
 H    4.926600      -1.978100      -1.911100    
 H    3.329600      -2.470800      -2.366100    
 H    1.151200       5.225000       1.660800    
 H    1.785400       3.635200       1.926100    


%chk=000029549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029549

0 1
O 2.491519 -2.018698 -0.225231
O 1.107580 2.397707 -0.140517
O 4.154416 -0.822868 0.955041
O 0.323084 4.592384 -0.503971
N -0.129325 -0.375740 0.026392
N 4.452965 -1.535322 -1.264105
N 2.106988 4.120975 0.953711
C 0.886465 -0.595817 1.066656
C 0.279329 0.373208 -1.170455
C -1.454310 -0.825631 0.192593
C 1.618253 -1.949439 0.977755
C 0.073686 1.893544 -1.081602
C -2.488428 -0.457456 -0.723976
C -1.817817 -1.667917 1.291964
C -3.819760 -0.911930 -0.575228
C -3.146444 -2.107199 1.445679
C -4.152772 -1.742237 0.523855
C -4.875273 -0.513323 -1.595286
C 3.750735 -1.400804 -0.086314
C 1.110830 3.793778 0.059899
H 0.419992 -0.520446 2.068013
H 1.630488 0.215818 1.012605
H -0.269618 -0.004148 -2.053306
H 1.349059 0.177608 -1.361232
H 0.917735 -2.787525 0.840641
H 2.241766 -2.102558 1.878056
H -0.926273 2.159843 -0.697444
H 0.219695 2.378839 -2.065423
H -2.269603 0.210722 -1.563602
H -1.071278 -1.989504 2.023865
H -3.396836 -2.749491 2.298452
H -5.182324 -2.092915 0.656037
H -4.772028 0.545534 -1.895134
H -4.791458 -1.124043 -2.515382
H -5.894156 -0.655823 -1.195530
H 5.391948 -1.151426 -1.318448
H 4.055290 -2.051205 -2.045416
H 2.236900 5.097649 1.200684
H 2.700978 3.399156 1.355203


