%chk=000003676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003676

0 1
 O   0.6658000     -0.1341000       1.461200    
 N    3.094300     -5.1300000E-02  0.1541000    
 N  -0.3988000     -0.3956000     -0.6150000    
 C    1.964700     -0.7259000     -0.4841000    
 C    2.903500       1.398500      0.1306000    
 C    4.346600     -0.4130000     -0.5090000    
 C   -1.755600     -0.1301000     -0.3123000    
 C   0.6855000     -0.3834000      0.2600000    
 C   -2.585800      -1.173800      6.8800002E-02
 C   -2.232300       1.169300     -0.4028000    
 C    4.068800       2.116400      0.7901000    
 C    4.591600      -1.910800     -0.4404000    
 C   -3.923300     -0.9124000      0.3660000    
 C   -3.569800       1.430600     -0.1054000    
 C   -2.088400      -2.579500      0.1705000    
 C   -1.351500       2.305300     -0.8116000    
 C   -4.415200      0.3898000      0.2790000    
 H    1.884700     -0.4518000      -1.543600    
 H    2.039700      -1.816200     -0.4137000    
 H    2.785300       1.771800     -0.8951000    
 H    2.008600       1.701900      0.6821000    
 H    4.368900     -8.0700003E-02  -1.554600    
 H    5.203400      3.9999999E-02 -3.9999999E-04
 H  -0.2548000     -0.8084000      -1.534100    
 H    4.324000       1.674500       1.759400    
 H    4.962100       2.138100      0.1583000    
 H    3.796200       3.162200      0.9729000    
 H    4.451700      -2.299200      0.5743000    
 H    3.950700      -2.471700      -1.127400    
 H    5.625500      -2.127300     -0.7326000    
 H   -4.595900      -1.711000      0.6676000    
 H   -3.969800       2.439300     -0.1669000    
 H   -1.651300      -2.903400     -0.7798000    
 H   -1.336400      -2.662100      0.9619000    
 H   -2.895000      -3.281100      0.4096000    
 H  -0.8715000       2.095300      -1.773300    
 H   -1.916100       3.236400     -0.9311000    
 H  -0.5811000       2.481700     -5.3900000E-02
 H   -5.456600      0.5935000      0.5110000    


%chk=000003676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003676

0 1
O 0.610284 -0.203944 1.608826
N 3.106408 -0.025909 -0.147335
N -0.379531 -0.447273 -0.504210
C 2.010908 -1.002932 -0.260592
C 2.899076 1.163558 -1.013428
C 4.451331 -0.642670 -0.278101
C -1.745536 -0.125182 -0.181081
C 0.698866 -0.501184 0.386651
C -2.749720 -1.077168 -0.532841
C -2.080630 1.121808 0.422650
C 3.700473 2.396268 -0.554416
C 4.841628 -1.509487 0.934598
C -4.101897 -0.772812 -0.253470
C -3.447639 1.376880 0.700998
C -2.374507 -2.399351 -1.180055
C -1.035828 2.171612 0.736761
C -4.452389 0.444331 0.370627
H 1.822682 -1.311785 -1.326596
H 2.295195 -1.914701 0.293491
H 3.131551 0.934681 -2.086942
H 1.822757 1.416854 -0.972489
H 4.538149 -1.245550 -1.220204
H 5.182792 0.179767 -0.365639
H -0.204114 -0.818819 -1.441907
H 3.464401 2.622946 0.499409
H 4.791655 2.245667 -0.638634
H 3.438970 3.273652 -1.174703
H 4.751553 -0.919824 1.862641
H 4.202257 -2.404772 1.037883
H 5.885389 -1.860217 0.832355
H -4.878893 -1.500666 -0.514614
H -3.719785 2.329490 1.170198
H -1.985219 -2.268177 -2.210551
H -1.593000 -2.925009 -0.600343
H -3.252548 -3.062832 -1.250052
H -0.333746 2.306185 -0.108095
H -1.509583 3.144678 0.951024
H -0.427063 1.867256 1.607248
H -5.502295 0.666432 0.591240


