%chk=000047060.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047060

1 1
 O  -0.3066000       1.553400     -0.9208000    
 O   0.5331000       1.103000       1.200100    
 N   -3.825400      -1.683300     -0.1214000    
 N    1.945500       1.743100     -0.5256000    
 C   -3.290100     -0.2513000     -4.5600001E-02
 C   -5.090900      -1.689500     -0.9743000    
 C   -4.121800      -2.172200       1.293600    
 C   -2.820100      -2.642800     -0.7547000    
 C   -2.041600     -3.7500001E-02 -0.5261000    
 C   -4.110500      0.6820000      0.4939000    
 C   -1.554200       1.267700     -0.4583000    
 C   -3.622800       1.987200      0.5619000    
 C   -2.344600       2.280000      8.5900001E-02
 C    3.189500       1.711200      0.2078000    
 C    3.847900      0.3636000      0.1390000    
 C   0.7224000       1.434800      3.3500001E-02
 C    3.555000     -0.5952000       1.101800    
 C    4.744500      8.8399999E-02 -0.8871000    
 C    4.166800      -1.847200       1.037300    
 C    5.356300      -1.163600     -0.9513000    
 C    5.067400      -2.131600      1.0600000E-02
 H   -4.856200      -1.259700      -1.953400    
 H   -5.417800      -2.728200      -1.088800    
 H   -5.881000      -1.122100     -0.4753000    
 H   -4.936700      -1.586700       1.727900    
 H   -4.430000      -3.221000       1.232800    
 H   -3.210500      -2.082500       1.893600    
 H   -1.917500      -2.692100     -0.1365000    
 H   -3.277300      -3.638900     -0.7738000    
 H   -2.619500      -2.337600      -1.787000    
 H   -1.381900     -0.7770000     -0.9583000    
 H   -5.105500      0.4801000      0.8709000    
 H   -4.237900       2.775800      0.9857000    
 H   -1.970900       3.298900      0.1419000    
 H    3.003700       1.992700       1.251200    
 H    3.842400       2.482100     -0.2173000    
 H    1.972800       1.992000      -1.509800    
 H    2.857600     -0.3859000       1.907900    
 H    4.975400      0.8340000      -1.642900    
 H    3.942400      -2.600600       1.786700    
 H    6.057300      -1.385100      -1.750800    
 H    5.543700      -3.106400     -3.9600000E-02


%chk=000047060-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047060

1 1
O -0.166690 1.071075 -0.348665
O 0.330113 -0.727171 1.160573
N -4.454515 -1.366062 0.684542
N 1.963373 0.757549 0.344941
C -3.649274 -0.262724 -0.015515
C -5.128303 -2.253929 -0.371227
C -5.521397 -0.725052 1.583661
C -3.585651 -2.267960 1.563881
C -2.262911 -0.174727 0.200666
C -4.341017 0.631449 -0.860350
C -1.547301 0.856427 -0.463478
C -3.601596 1.647295 -1.508082
C -2.212441 1.766760 -1.317049
C 3.138645 0.172464 1.033089
C 4.294496 -0.083434 0.073326
C 0.709904 0.255271 0.476229
C 4.129842 -0.947468 -1.039714
C 5.553347 0.525743 0.294956
C 5.208055 -1.197389 -1.915403
C 6.636001 0.273265 -0.579235
C 6.464823 -0.587506 -1.686514
H -4.346443 -2.692583 -1.008301
H -5.697376 -3.045604 0.140562
H -5.804028 -1.644499 -0.986023
H -6.200173 -0.117695 0.970356
H -6.085441 -1.522945 2.091668
H -5.015376 -0.082861 2.319270
H -3.111043 -1.669382 2.354122
H -4.240098 -3.028185 2.016658
H -2.819143 -2.757587 0.946979
H -1.698627 -0.847576 0.845487
H -5.419950 0.569079 -1.032224
H -4.119127 2.349876 -2.167433
H -1.633840 2.549435 -1.814467
H 2.787454 -0.762213 1.505468
H 3.460736 0.854277 1.842316
H 2.101839 1.558222 -0.275838
H 3.160066 -1.429264 -1.216288
H 5.691867 1.194394 1.153836
H 5.074621 -1.869150 -2.770286
H 7.606655 0.746388 -0.396875
H 7.302322 -0.784002 -2.364325


