%chk=000054703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054703

0 1
 O   -4.362900     -0.1658000     -0.6137000    
 O   0.4276000      -1.566400      -1.065500    
 O    2.882400       2.211200      0.1515000    
 N    1.706800      0.3105000     -0.5299000    
 N    4.724100      -1.818900      4.3299999E-02
 C    2.944800     -0.3950000     -0.8435000    
 C    3.504700      -1.097700      0.3845000    
 C  -0.6748000       1.700500     -3.0800000E-02
 C  -0.7434000      0.3686000     -0.4624000    
 C   0.5489000       2.352700      0.1756000    
 C   0.5010000     -0.3899000     -0.7171000    
 C    1.819600       1.633500     -6.5800004E-02
 C   -1.879600       2.408700      0.2066000    
 C    5.268900      -2.498000       1.220700    
 C    5.721200     -0.9087000     -0.5233000    
 C   -1.980800     -0.2580000     -0.6575000    
 C   -3.160200      0.4429000     -0.4235000    
 C   -3.111300       1.767400      5.5999998E-03
 C   0.5860000       3.683900      0.6097000    
 C   -1.825600       3.741900      0.6403000    
 C  -0.6005000       4.374000      0.8403000    
 C    4.250500      -3.449000       1.826400    
 C    6.972900      -1.659300     -0.9452000    
 C   -4.417300      -1.575700     -0.4026000    
 C   -5.820400      -1.950900      5.2800000E-02
 C   -5.946300      -3.449200      0.3137000    
 C   -7.336500      -3.813500      0.8096000    
 H    3.622000      0.3643000      -1.242200    
 H    2.757700      -1.119500      -1.645800    
 H    3.680900     -0.3715000       1.189200    
 H    2.724100      -1.781400      0.7353000    
 H    6.126300      -3.120100      0.9445000    
 H    5.607100      -1.786200       1.984400    
 H    5.366900     -0.4540000      -1.451600    
 H    5.983800     -9.9399999E-02  0.1693000    
 H   -2.002400      -1.280800      -1.022100    
 H   -4.043300       2.300600      0.1845000    
 H    1.528000       4.200500      0.7729000    
 H   -2.739800       4.301400      0.8274000    
 H  -0.5715000       5.406400       1.176500    
 H    4.749200      -4.108700       2.545600    
 H    3.787500      -4.088200       1.066700    
 H    3.465400      -2.925000       2.380400    
 H    7.598100      -1.010200      -1.569100    
 H    6.733500      -2.548500      -1.538600    
 H    7.590200      -1.956200     -9.1899998E-02
 H   -3.714100      -1.893400      0.3783000    
 H   -4.177300      -2.087400      -1.341800    
 H   -6.547200      -1.634400     -0.7058000    
 H   -6.069300      -1.385800      0.9600000    
 H   -5.733200      -4.006400     -0.6060000    
 H   -5.207500      -3.761800       1.060900    
 H   -7.404900      -4.891100      0.9885000    
 H   -8.099300      -3.542200      7.2800003E-02
 H   -7.566000      -3.298300       1.747800    


%chk=000054703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054703

0 1
O -4.419047 -0.153453 0.322029
O 0.478539 -1.760309 -0.478256
O 2.994935 2.174571 -0.594719
N 1.713936 0.220259 -0.580435
N 4.929551 -1.621043 0.271483
C 2.951638 -0.575325 -0.808126
C 3.599510 -1.024190 0.525748
C -0.647717 1.742580 -0.107013
C -0.730967 0.319522 -0.189828
C 0.608090 2.414249 -0.245497
C 0.494950 -0.492827 -0.420652
C 1.852779 1.635059 -0.480312
C -1.853011 2.505403 0.123500
C 5.228355 -2.806191 1.115942
C 6.015517 -0.602958 0.254994
C -1.962051 -0.338433 -0.051255
C -3.152162 0.416697 0.174112
C -3.094581 1.818950 0.260279
C 0.672453 3.813002 -0.158058
C -1.751137 3.935404 0.205984
C -0.513069 4.572251 0.067507
C 4.442411 -4.058255 0.681628
C 7.223053 -1.020660 -0.605610
C -4.540394 -1.626957 0.233396
C -6.019474 -1.964711 0.422412
C -6.279764 -3.488086 0.348994
C -7.771823 -3.836599 0.534714
H 3.652256 0.060830 -1.370268
H 2.687577 -1.462862 -1.402330
H 3.661263 -0.148289 1.213886
H 2.940435 -1.770979 1.001180
H 6.308960 -3.019458 1.023899
H 5.039079 -2.596645 2.199732
H 5.591473 0.332590 -0.155035
H 6.357151 -0.360906 1.293752
H -1.964129 -1.430040 -0.121257
H -4.021428 2.375070 0.434350
H 1.647048 4.299383 -0.267550
H -2.660017 4.522932 0.379577
H -0.449038 5.663300 0.132038
H 4.697008 -4.919690 1.327512
H 4.685733 -4.313171 -0.364524
H 3.350382 -3.901222 0.744925
H 7.984136 -0.218097 -0.615208
H 6.899984 -1.216083 -1.642969
H 7.708073 -1.936730 -0.221954
H -3.919028 -2.096810 1.023562
H -4.175283 -1.967502 -0.757517
H -6.610041 -1.443682 -0.355302
H -6.356491 -1.571464 1.400705
H -5.928732 -3.877725 -0.628278
H -5.680269 -4.004927 1.125804
H -7.939311 -4.927236 0.476004
H -8.391163 -3.356231 -0.245598
H -8.141451 -3.489806 1.517808


