%chk=000049727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049727

0 1
 O   -6.306300      0.8563000     -0.7263000    
 O   0.8668000      -2.501100      0.2075000    
 N   -3.127200     -0.3893000      0.6410000    
 N    1.331500     -0.2294000      0.5921000    
 C   -1.820200     -0.6469000      3.3900000E-02
 C  -0.8483000      -1.113200       1.125000    
 C   -1.988100      -1.692100      -1.068200    
 C   -4.068300      9.8499998E-02 -0.3543000    
 C   0.5484000      -1.376700      0.5839000    
 C    2.673900     -9.8999999E-02  0.1644000    
 C    3.314400       1.127800      0.2404000    
 C   -5.425600      0.3665000      0.2763000    
 C    2.625700       2.344200      0.7687000    
 C    3.323400      -1.220500     -0.3276000    
 C    4.638000       1.235900     -0.1863000    
 C    1.913900       3.127800     -0.3295000    
 C    4.647100      -1.112300     -0.7542000    
 C    5.304400      0.1158000     -0.6836000    
 C   -7.603500       1.107600     -0.2032000    
 H   -1.423300      0.2749000     -0.4114000    
 H  -0.7868000     -0.3690000       1.929600    
 H   -1.203100      -2.041900       1.591100    
 H   -3.029400      0.2976000       1.388400    
 H   -2.529000      -2.576700     -0.7128000    
 H   -1.019000      -2.035000      -1.443800    
 H   -2.501100      -1.296400      -1.950300    
 H   -3.702100       1.017300     -0.8294000    
 H   -4.252100     -0.6243000      -1.155200    
 H   0.8765000      0.6166000      0.9186000    
 H   -5.834700     -0.5571000      0.7042000    
 H   -5.334400       1.113900       1.073900    
 H    1.939400       2.112500       1.589700    
 H    3.372800       3.004700       1.229800    
 H    2.891000      -2.205300     -0.4173000    
 H    5.163000       2.186500     -0.1399000    
 H    2.613500       3.442700      -1.111300    
 H    1.447600       4.025200      8.9199997E-02
 H    1.129500       2.526800     -0.8017000    
 H    5.167200      -1.983500      -1.142000    
 H    6.334700      0.2002000      -1.016500    
 H   -8.046300      0.1850000      0.1846000    
 H   -8.234400       1.483200      -1.013300    
 H   -7.559600       1.865400      0.5849000    


%chk=000049727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049727

0 1
O -6.199404 1.405276 -0.251865
O 1.101033 -2.778179 0.578889
N -3.087809 -0.483076 0.520617
N 1.317619 -0.435227 0.560170
C -1.688270 -0.550607 0.031490
C -0.885511 -1.414998 1.044842
C -1.620629 -1.155657 -1.386644
C -3.971815 0.496100 -0.149699
C 0.596113 -1.623079 0.701542
C 2.700623 -0.243139 0.263122
C 3.177694 1.101884 0.137120
C -5.400025 0.360043 0.390724
C 2.251358 2.308489 0.255932
C 3.590541 -1.338997 0.103952
C 4.549616 1.300214 -0.143415
C 1.413262 2.567634 -1.028062
C 4.951410 -1.102285 -0.181223
C 5.441137 0.216416 -0.305621
C -7.605743 1.344839 0.137521
H -1.234721 0.479117 -0.010826
H -0.962201 -0.960473 2.056015
H -1.344788 -2.416052 1.092369
H -3.112871 -0.358576 1.543719
H -2.069164 -2.164356 -1.382573
H -0.572935 -1.236158 -1.727523
H -2.163862 -0.535023 -2.120365
H -3.640053 1.555024 -0.023511
H -3.990817 0.288909 -1.233281
H 0.769930 0.420481 0.671165
H -5.800894 -0.649613 0.157265
H -5.418065 0.491811 1.499119
H 1.573250 2.214920 1.131237
H 2.863889 3.205451 0.460532
H 3.201917 -2.353793 0.203601
H 4.921981 2.328195 -0.235170
H 2.079709 2.749301 -1.889429
H 0.761918 3.452043 -0.902873
H 0.772292 1.704410 -1.288196
H 5.627425 -1.955812 -0.303518
H 6.498911 0.400380 -0.521972
H -8.067079 0.375236 -0.148621
H -8.111784 2.162318 -0.399651
H -7.733289 1.489811 1.232195


