%chk=000022397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022397

0 1
 O    1.252000      -1.076700     -0.2955000    
 O   -3.027200      -2.800500     -0.6613000    
 O   0.3983000      -2.191500       1.527100    
 O   -2.424300      -2.401200       1.525600    
 N    4.893500     -0.5197000     -0.1182000    
 C   -1.069000      -1.531500     -0.3097000    
 C   -1.464200     -7.0900001E-02 -0.6095000    
 C   -1.545300      0.8707000      0.6040000    
 C    3.546600     -0.4814000     -0.6682000    
 C    2.562000      -1.152900      0.2759000    
 C    5.890700     -0.3406000      -1.176300    
 C    5.061300      0.5068000      0.9134000    
 C   0.2505000      -1.642200      0.4433000    
 C   -2.056400       2.255700      0.3026000    
 C   -2.231000      -2.284000      0.3231000    
 C    5.754100       1.021900      -1.834500    
 C    6.441800      0.4315000       1.543300    
 C   -1.163000       3.267400     -4.9500000E-02
 C   -3.422900       2.526200      0.3752000    
 C   -1.636000       4.549600     -0.3286000    
 C   -3.895800       3.808400      9.5899999E-02
 C   -4.171300      -3.531900     -0.2098000    
 C   -3.002300       4.820000     -0.2560000    
 C   -4.942100      -4.033200      -1.412500    
 H  -0.8772000      -2.040500      -1.266600    
 H  -0.7455000      0.3520000      -1.324200    
 H   -2.433800     -6.6200003E-02  -1.125500    
 H   -2.188500      0.4226000       1.372300    
 H  -0.5561000      0.9540000       1.072300    
 H    3.494200      -1.024900      -1.621600    
 H    3.199000      0.5367000     -0.8869000    
 H    2.831300      -2.206800      0.4182000    
 H    2.533000     -0.6569000       1.251300    
 H    6.911500     -0.4941000     -0.8108000    
 H    5.754900      -1.121200      -1.936200    
 H    4.353800      0.3187000       1.728800    
 H    4.848000       1.525300      0.5701000    
 H    6.460100       1.074700      -2.672300    
 H    6.015600       1.852000      -1.172600    
 H    4.765200       1.205000      -2.263800    
 H    6.461100       1.036900       2.456600    
 H    7.225100      0.8267000      0.8897000    
 H    6.701800     -0.5938000       1.828600    
 H  -9.6400000E-02   3.068100     -0.1117000    
 H   -4.129000       1.745600      0.6460000    
 H  -0.9405000       5.337200     -0.6034000    
 H   -4.959800       4.018900      0.1518000    
 H   -4.810000      -2.875400      0.3917000    
 H   -3.844500      -4.381000      0.4006000    
 H   -3.370600       5.818300     -0.4738000    
 H   -5.260200      -3.196000      -2.042500    
 H   -4.310700      -4.676700      -2.034000    
 H   -5.825900      -4.598000      -1.103000    


%chk=000022397-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022397

0 1
O 0.748257 -1.300404 -1.679407
O -2.427889 -3.100415 -0.147306
O 0.266245 -1.679120 0.574534
O -3.420934 -1.133457 0.603152
N 4.254522 -0.435542 -0.538280
C -1.538561 -1.058506 -1.022882
C -1.740490 0.482036 -1.125190
C -1.347708 1.275438 0.151563
C 2.853619 -0.175967 -0.934210
C 2.205123 -1.497282 -1.395765
C 5.226327 0.592485 -0.985530
C 4.388258 -0.879223 0.874653
C -0.111220 -1.398369 -0.584602
C -1.688011 2.750789 0.001014
C -2.559552 -1.719077 -0.090538
C 5.116557 1.983645 -0.302430
C 5.712196 -1.613307 1.156563
C -0.714206 3.691419 -0.421729
C -3.010448 3.208387 0.241667
C -1.049099 5.053495 -0.601230
C -3.349983 4.568081 0.064528
C -3.317928 -3.891477 0.761051
C -2.369883 5.496404 -0.359427
C -2.936756 -5.356632 0.581334
H -1.678607 -1.496668 -2.028972
H -1.154679 0.852756 -1.986433
H -2.807809 0.667554 -1.345250
H -1.887452 0.843814 1.012629
H -0.264463 1.154267 0.344655
H 2.834629 0.545427 -1.771469
H 2.244692 0.260789 -0.108534
H 2.629852 -1.837601 -2.351427
H 2.314044 -2.280096 -0.626028
H 6.245811 0.191586 -0.835685
H 5.101197 0.712650 -2.078841
H 3.547691 -1.566182 1.085516
H 4.273468 -0.027436 1.589680
H 5.858397 2.680329 -0.735461
H 5.308004 1.921991 0.784094
H 4.112910 2.424998 -0.447691
H 5.713603 -2.010742 2.188145
H 6.587955 -0.946781 1.057323
H 5.838667 -2.455701 0.453798
H 0.314019 3.353597 -0.605861
H -3.770881 2.491875 0.576975
H -0.282637 5.767403 -0.924681
H -4.374522 4.905234 0.260131
H -4.366877 -3.685159 0.480948
H -3.156486 -3.532721 1.793232
H -2.631463 6.552039 -0.494716
H -3.089744 -5.680300 -0.462389
H -1.878679 -5.520627 0.846556
H -3.563176 -5.988499 1.237124


