%chk=000054472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054472

0 1
 I    5.189300      -1.965200      0.2033000    
 O    2.589400     -0.3130000      -1.005400    
 O   0.3378000      5.0900001E-02  -2.307200    
 O   0.1027000      0.1381000       2.479900    
 O   0.8561000       3.946400      4.7200002E-02
 N   0.5555000       1.984500      -1.104800    
 N   0.4377000       2.027700       1.235000    
 C  -7.6499999E-02 -9.6100003E-02  7.5300001E-02
 C   0.7700000      -1.375200      0.1406000    
 C   -1.528200     -0.4801000      1.0400000E-02
 C    2.267700      -1.068600      0.1618000    
 C   0.2987000      0.6301000      -1.219600    
 C   0.1705000      0.6776000       1.373400    
 C    3.074200      -2.370900      0.1613000    
 C   -2.493500      0.5090000     -0.1305000    
 C   -1.888000      -1.819500      9.1600001E-02
 C   0.6245000       2.736000      5.7999998E-02
 C   -3.840800      0.1529000     -0.1909000    
 C   -3.235300      -2.175400      3.0900000E-02
 C   -4.211700      -1.189200     -0.1104000    
 H   0.5601000      -1.964500       1.044000    
 H   0.5886000      -2.008400     -0.7406000    
 H    2.530900     -0.4641000       1.037100    
 H    2.864600      -2.948500     -0.7465000    
 H    2.809100      -2.988100       1.026400    
 H   0.7451000       2.480700      -1.971200    
 H   0.5406000       2.555800       2.097100    
 H   -2.229300       1.560300     -0.1921000    
 H   -1.205200      -2.651500      0.2060000    
 H    3.547100     -0.1457000     -0.9882000    
 H   -4.601300      0.9206000     -0.3000000    
 H   -3.526200      -3.220100      9.4800003E-02
 H   -5.260800      -1.466400     -0.1570000    


%chk=000054472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054472

0 1
I 5.253386 -2.151300 0.948563
O 2.703414 -0.015820 -0.122106
O 0.535218 -0.601839 -2.382992
O 0.493254 0.762823 2.228605
O 0.532793 3.883647 -1.201717
N 0.419236 1.617298 -1.763421
N 0.385894 2.288091 0.499093
C 0.018972 -0.136399 -0.012081
C 0.796830 -1.432173 0.378976
C -1.517779 -0.438466 0.024300
C 2.292716 -1.167179 0.699863
C 0.378832 0.245663 -1.467988
C 0.344569 0.977878 0.996501
C 3.116382 -2.416075 0.377551
C -2.348567 0.046609 1.066361
C -2.086976 -1.270791 -0.975720
C 0.443398 2.681341 -0.850145
C -3.722248 -0.283922 1.098624
C -3.458484 -1.601610 -0.936048
C -4.284358 -1.108299 0.099433
H 0.319624 -1.880208 1.265684
H 0.695545 -2.133415 -0.468668
H 2.393583 -0.902278 1.770541
H 3.140538 -2.622379 -0.703269
H 2.783204 -3.296707 0.947671
H 0.550405 1.874042 -2.746846
H 0.502107 3.041926 1.183984
H -1.934692 0.666839 1.867076
H -1.462457 -1.650562 -1.791043
H 3.658175 0.187498 0.059397
H -4.349389 0.102108 1.909757
H -3.880332 -2.243104 -1.717580
H -5.349390 -1.363135 0.127343


