%chk=000139805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139805

0 1
 O    1.163600      -2.467100      -1.261300    
 N   -1.135700      -2.471900      -1.234300    
 C  -5.0000002E-04 -0.7599000       1.272500    
 C   -1.185200      2.2000000E-03  0.6961000    
 C    1.173200      2.1700000E-02  0.6995000    
 C  -0.7373000       1.087900     -9.0000004E-02
 C   0.7096000       1.099700     -8.8000000E-02
 C   1.2100000E-02  -2.226200      0.8590000    
 C   -2.536300     -0.2457000      0.8761000    
 C    2.527600     -0.2038000      0.8837000    
 C   -1.644800       1.930300     -0.7113000    
 C    1.604900       1.957400     -0.7063000    
 C   0.1063000      -2.398900     -0.6411000    
 C   -3.450400      0.6035000      0.2499000    
 C    3.429500      0.6605000      0.2601000    
 C   -3.009200       1.680300     -0.5369000    
 C    2.972700       1.730100     -0.5277000    
 H  -4.6999999E-03 -0.6550000       2.364000    
 H  -0.8776000      -2.745100       1.236400    
 H   0.8763000      -2.739800       1.298600    
 H   -2.881600      -1.072900       1.486400    
 H    2.884500      -1.025600       1.494500    
 H   -1.319500       2.767100      -1.320300    
 H    1.267600       2.788900      -1.316100    
 H   -4.516500      0.4316000      0.3725000    
 H    4.497900      0.5063000      0.3859000    
 H   -3.739500       2.328200      -1.014600    
 H    3.693600       2.390200      -1.003000    
 H   -2.001300      -2.447200     -0.7058000    
 H   -1.224000      -2.582400      -2.239000    


%chk=000139805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139805

0 1
O 1.043624 -3.669071 -0.736476
N -0.636384 -2.220647 -1.413203
C -0.052881 -0.770653 1.239001
C -1.261544 0.002284 0.701592
C 1.121466 0.002224 0.633858
C -0.827802 1.129467 -0.062923
C 0.647295 1.127422 -0.105947
C -0.035988 -2.310570 0.995621
C -2.633034 -0.243947 0.896149
C 2.499022 -0.256526 0.734838
C -1.771191 2.015159 -0.629945
C 1.554022 2.007400 -0.736447
C 0.182832 -2.783368 -0.451591
C -3.580022 0.642528 0.321016
C 3.409141 0.623449 0.097024
C -3.149680 1.762937 -0.433191
C 2.939867 1.747392 -0.628084
H -0.033504 -0.643449 2.343430
H -0.983442 -2.744304 1.373467
H 0.780622 -2.765645 1.580812
H -2.974113 -1.103317 1.485760
H 2.871796 -1.128476 1.283551
H -1.447517 2.884281 -1.213504
H 1.197682 2.874914 -1.303421
H -4.651309 0.462399 0.462779
H 4.485798 0.430987 0.160632
H -3.894081 2.439481 -0.867764
H 3.659334 2.416416 -1.113261
H -1.299267 -1.477408 -1.191032
H -0.505442 -2.506961 -2.383243


