%chk=000040823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040823

2 1
 O   0.1871000      0.1115000     -0.5204000    
 N   -2.498200     -0.4257000      0.2002000    
 N    3.831000     -0.3420000      0.1448000    
 C   -2.128600      0.7167000     -0.6722000    
 C   -3.942300     -0.8714000     -6.7599997E-02
 C   -2.385100     -3.9000001E-02   1.681300    
 C  -0.7138000       1.200600     -0.3722000    
 C   -1.574300      -1.625200     -5.1600002E-02
 C    2.428400     -0.7210000     -0.3082000    
 C    1.506900      0.4699000     -0.1328000    
 C   -4.063000      -1.333500      -1.503200    
 C   -3.287600       1.143400       1.957900    
 C  -0.2559000       2.362800      -1.243600    
 C    4.349800      0.8019000     -0.7144000    
 C    3.792400      9.4999999E-02   1.602100    
 C    4.753200      -1.544000     -9.9999997E-05
 H   -2.137100      0.3655000      -1.710200    
 H   -2.874300       1.514100     -0.5956000    
 H   -4.616000     -2.3900000E-02  7.7600002E-02
 H   -4.194100      -1.672000      0.6366000    
 H   -1.341200      0.1567000       1.940900    
 H   -2.707200     -0.9087000       2.267100    
 H  -0.6663000       1.575000      0.6558000    
 H   -1.309400      -1.688900      -1.111100    
 H   -2.112900      -2.534200      0.2411000    
 H  -0.7003000      -1.573700      0.6036000    
 H    2.091300      -1.575400      0.2912000    
 H    2.475300      -1.042500      -1.355700    
 H    1.858500       1.278400     -0.7718000    
 H    1.460400      0.8091000      0.9048000    
 H   -3.388300      -2.151100      -1.767700    
 H   -3.943100     -0.5224000      -2.226400    
 H   -5.078400      -1.718500      -1.658400    
 H   -4.351200      0.9344000       1.826800    
 H   -3.022900       2.047200       1.404900    
 H   -3.177800       1.409200       3.017100    
 H   -1.060600       3.097700      -1.356000    
 H   0.5895000       2.903000     -0.8049000    
 H   4.0500000E-02   2.022800      -2.241800    
 H    3.844700       1.734600     -0.4516000    
 H    5.419100      0.9187000     -0.5093000    
 H    4.199800      0.5479000      -1.767800    
 H    4.824400      0.1495000       1.964300    
 H    3.345500       1.088200       1.690000    
 H    3.236200     -0.6493000       2.179500    
 H    4.366100      -2.353200      0.6263000    
 H    4.764800      -1.844600      -1.052000    
 H    5.757600      -1.257300      0.3254000    


%chk=000040823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040823

2 1
O 0.356793 0.244112 -0.227697
N -2.662264 -0.561199 0.139882
N 4.097216 -0.298462 0.120727
C -2.019614 0.609697 -0.637245
C -4.106677 -0.796522 -0.412789
C -2.762602 -0.270431 1.665364
C -0.733773 1.255675 -0.083529
C -1.844451 -1.841463 -0.030629
C 2.570733 -0.535407 0.072240
C 1.701840 0.737826 0.104744
C -4.197087 -1.190282 -1.890758
C -3.554595 0.982365 2.057082
C -0.460042 2.545357 -0.883580
C 4.593220 0.382614 -1.159433
C 4.484659 0.548617 1.336010
C 4.779216 -1.669692 0.235779
H -1.815496 0.236163 -1.653882
H -2.793570 1.391138 -0.705391
H -4.658579 0.139512 -0.229899
H -4.538215 -1.584202 0.229629
H -1.723849 -0.218549 2.032330
H -3.224791 -1.172057 2.103982
H -0.829544 1.509314 0.993001
H -1.735933 -2.067086 -1.100339
H -2.372165 -2.665647 0.473953
H -0.850273 -1.682982 0.407265
H 2.323873 -1.185772 0.928215
H 2.361256 -1.086542 -0.860533
H 2.032813 1.478830 -0.648097
H 1.703726 1.214631 1.106375
H -3.726298 -2.160687 -2.117140
H -3.798003 -0.422015 -2.573701
H -5.269189 -1.297588 -2.134081
H -4.627449 0.910993 1.816965
H -3.153355 1.911963 1.618672
H -3.486612 1.090847 3.154082
H -1.306316 3.247830 -0.783284
H 0.428655 3.077626 -0.505880
H -0.315013 2.331933 -1.957293
H 4.153650 1.386338 -1.244844
H 5.689273 0.469559 -1.110751
H 4.308643 -0.231721 -2.027127
H 5.582393 0.595451 1.398594
H 4.083735 1.566165 1.221232
H 4.082579 0.079979 2.247300
H 4.473080 -2.148252 1.178326
H 4.480633 -2.294176 -0.619913
H 5.870369 -1.527504 0.228767


