%chk=000055647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055647

0 1
 O   0.8524000       3.456200      0.5664000    
 O    5.611100     -0.5871000     -5.2000000E-03
 N   -2.447400      -3.475600       1.215600    
 N  -0.3492000       1.547200     -9.5299996E-02
 C   -2.270900      -2.646000      1.7100001E-02
 C  -0.8612000      -2.822300     -0.5640000    
 C  -0.5645000      -4.290100     -0.8586000    
 C   -2.521600      -1.183500      0.3804000    
 C  -0.8355000      -5.148400      0.3720000    
 C   -2.235200      -4.894100      0.9265000    
 C   -2.443700     -0.2881000     -0.8535000    
 C   -2.709900       1.154100     -0.5057000    
 C   -1.669800       2.000500     -0.1462000    
 C   -4.019600       1.613600     -0.5535000    
 C   -1.943900       3.331000      0.1709000    
 C   -4.293600       2.944100     -0.2361000    
 C   -3.255900       3.802600      0.1261000    
 C   0.7978000       2.273800      0.2459000    
 C    2.074200       1.514800      0.1797000    
 C    3.122300       1.904000      0.9869000    
 C    2.168500      0.4462000     -0.6869000    
 C    4.320100       1.191900      0.9244000    
 C    3.366200     -0.2661000     -0.7493000    
 C    4.442100      0.1068000      5.6499999E-02
 C    5.667300      -1.685500     -0.9142000    
 H   -3.011600      -2.951500     -0.7344000    
 H  -0.1092000      -2.432200      0.1346000    
 H  -0.7412000      -2.276700      -1.504500    
 H   -1.194700      -4.631800      -1.688900    
 H   0.4777000      -4.406800      -1.175800    
 H   -1.796400     -0.8506000       1.135100    
 H   -3.514000      -1.082000      0.8408000    
 H  -8.8100001E-02  -4.925100       1.143900    
 H  -0.7242000      -6.208000      0.1163000    
 H   -2.363300      -5.466500       1.851700    
 H   -2.994400      -5.252500      0.2207000    
 H   -3.388500      -3.345400       1.586100    
 H   -1.502400     -0.3708000      -1.401300    
 H   -3.200300     -0.6185000      -1.579300    
 H   -4.837400      0.9547000     -0.8315000    
 H   -1.203200       4.061600      0.4607000    
 H   -5.315200       3.311300     -0.2703000    
 H  -0.2275000      0.5558000     -0.2625000    
 H   -3.471000       4.838300      0.3731000    
 H    3.042200       2.742300       1.672500    
 H    1.372000      0.1471000      -1.360400    
 H    5.154400       1.486200       1.555300    
 H    3.395900      -1.092400      -1.451400    
 H    6.667400      -2.123500     -0.8306000    
 H    4.951500      -2.469100     -0.6435000    
 H    5.548700      -1.355400      -1.951900    


%chk=000055647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055647

0 1
O 0.769012 3.472258 0.704940
O 5.653469 -0.647032 0.038821
N -2.230645 -3.430502 1.172991
N -0.473941 1.623536 -0.051403
C -2.153656 -2.606228 -0.057235
C -0.770188 -2.841634 -0.714758
C -0.519927 -4.346580 -0.977774
C -2.400949 -1.128001 0.319055
C -0.696130 -5.168723 0.320763
C -2.078929 -4.884722 0.943458
C -2.579565 -0.187750 -0.907220
C -2.846917 1.263656 -0.523971
C -1.799721 2.143011 -0.093590
C -4.166750 1.768112 -0.573577
C -2.095944 3.484857 0.268339
C -4.469860 3.099356 -0.211057
C -3.425116 3.952194 0.208089
C 0.716778 2.269871 0.294116
C 1.961765 1.432566 0.170376
C 3.119656 1.888452 0.860339
C 2.063201 0.249927 -0.605242
C 4.326160 1.178384 0.799840
C 3.271570 -0.475879 -0.680415
C 4.406931 -0.013071 0.031962
C 5.796650 -1.883156 -0.736783
H -2.935468 -2.913819 -0.805858
H 0.007276 -2.451593 -0.026419
H -0.705206 -2.278969 -1.666861
H -1.243045 -4.708597 -1.738472
H 0.491840 -4.499870 -1.399973
H -1.574964 -0.788414 0.974955
H -3.322839 -1.057728 0.932897
H 0.086383 -4.885185 1.050549
H -0.593199 -6.251280 0.113275
H -2.177564 -5.406860 1.913045
H -2.866111 -5.293702 0.257959
H -3.064515 -3.204974 1.732055
H -1.696574 -0.264060 -1.576196
H -3.432467 -0.559673 -1.505781
H -4.969504 1.099893 -0.909617
H -1.281127 4.134525 0.591730
H -5.501530 3.463701 -0.260452
H -0.391286 0.629965 -0.267261
H -3.639072 4.988910 0.491051
H 3.039983 2.816031 1.435777
H 1.217269 -0.112162 -1.203218
H 5.218482 1.519744 1.332650
H 3.319191 -1.378407 -1.296493
H 6.837269 -2.200994 -0.578713
H 5.106342 -2.667902 -0.371384
H 5.620783 -1.702983 -1.814911


