%chk=000062278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062278

0 1
 O    3.119900       1.691000      0.4594000    
 O   -3.849800      -2.962600      2.7400000E-02
 N    1.162700     -0.1892000     -0.5145000    
 N   -3.006500     -0.7480000     -2.9899999E-02
 C   -1.610700      -1.066500     -0.1995000    
 C   -1.078700     -0.4991000      -1.515200    
 C  -0.7806000     -0.5454000      0.9741000    
 C   0.4246000     -0.7431000      -1.658000    
 C   0.7126000     -0.7892000      0.7492000    
 C    2.601400     -0.3862000     -0.6905000    
 C    3.386900      0.2893000      0.4403000    
 C   -3.396300      0.6585000      4.2199999E-02
 C   -4.025500      -1.742300      7.0799999E-02
 C    4.877900      9.4200000E-02  0.2728000    
 C   -5.445500      -1.198400      0.1989000    
 C   -3.424200       1.244000       1.272600    
 C   -3.706500       1.287800      -1.126300    
 C    5.483900      -1.009600      0.8473000    
 C    5.603800       1.024100     -0.4513000    
 C   -6.489700      -2.298100      0.3178000    
 C   -3.797500       2.586200       1.341000    
 C   -4.079800       2.630100      -1.057900    
 C   -4.125200       3.279400      0.1758000    
 C    6.858600      -1.189200      0.6930000    
 C    6.978400      0.8445000     -0.6057000    
 C    7.605900     -0.2622000     -3.3700000E-02
 H   -1.506700      -2.158600     -0.2321000    
 H   -1.231200      0.5838000      -1.581400    
 H   -1.608400     -0.9482000      -2.364100    
 H   -1.099100      -1.028300       1.906000    
 H  -0.9102000      0.5336000       1.114000    
 H   0.7608000     -0.2639000      -2.585700    
 H   0.6138000      -1.819800      -1.761400    
 H    1.201500     -0.3423000       1.618100    
 H   0.9196000      -1.867100      0.7698000    
 H    2.901800      6.8499997E-02  -1.644000    
 H    2.851500      -1.454200     -0.7465000    
 H    3.130800     -0.1002000       1.429400    
 H   -5.518600     -0.5719000       1.092900    
 H   -5.686500     -0.5995000     -0.6847000    
 H   -3.182700      0.7050000       2.182600    
 H   -3.684900      0.7833000      -2.086500    
 H    3.601200       2.077000       1.211600    
 H    4.909900      -1.738100       1.412500    
 H    5.137500       1.885500     -0.9200000    
 H   -7.490000      -1.864400      0.4129000    
 H   -6.303600      -2.923900       1.196900    
 H   -6.481500      -2.946100     -0.5650000    
 H   -3.836100       3.090700       2.302100    
 H   -4.338100       3.168800      -1.964900    
 H   -4.417300       4.324100      0.2293000    
 H    7.347000      -2.051300       1.137700    
 H    7.559900       1.564200      -1.174500    
 H    8.676000     -0.4027000     -0.1550000    


%chk=000062278-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062278

0 1
O 3.314038 1.767555 -1.037708
O -3.675890 -2.898528 -0.426842
N 1.208223 -0.378156 -0.567752
N -3.091206 -0.667970 -0.066242
C -1.646319 -0.981934 -0.299894
C -1.073154 -0.274778 -1.550294
C -0.764444 -0.665813 0.930465
C 0.397290 -0.691518 -1.765849
C 0.699995 -1.058986 0.643311
C 2.665577 -0.527315 -0.750308
C 3.463151 0.633572 -0.105053
C -3.477975 0.689615 0.257944
C -4.030731 -1.709466 -0.154849
C 4.931754 0.278917 0.115005
C -5.499440 -1.335060 0.094397
C -3.596358 1.092025 1.611690
C -3.740979 1.625615 -0.773457
C 5.383511 -0.154949 1.386147
C 5.857620 0.347275 -0.957536
C -6.450610 -2.518455 -0.156249
C -3.975569 2.414889 1.930597
C -4.117713 2.948995 -0.452935
C -4.236860 3.346972 0.899111
C 6.734293 -0.520867 1.584681
C 7.208056 -0.017307 -0.761193
C 7.650944 -0.454120 0.509836
H -1.638200 -2.075304 -0.475576
H -1.110960 0.822907 -1.419278
H -1.669905 -0.544569 -2.442454
H -1.131861 -1.224715 1.812359
H -0.804581 0.415692 1.159372
H 0.818517 -0.138836 -2.624342
H 0.430306 -1.785436 -2.015808
H 1.334409 -0.774740 1.504438
H 0.768702 -2.175678 0.541218
H 2.911054 -0.520872 -1.828632
H 3.040341 -1.492454 -0.335800
H 2.993044 0.877739 0.872263
H -5.602943 -0.972426 1.136359
H -5.771119 -0.472108 -0.543679
H -3.390397 0.363604 2.403821
H -3.654994 1.307810 -1.818022
H 3.764993 2.559553 -0.648534
H 4.677236 -0.202123 2.225479
H 5.510326 0.698046 -1.935688
H -7.493919 -2.224634 0.059735
H -6.183270 -3.378676 0.479938
H -6.389482 -2.860118 -1.203624
H -4.065664 2.717183 2.979878
H -4.319332 3.666224 -1.256275
H -4.530461 4.373103 1.146367
H 7.072236 -0.851053 2.573591
H 7.915890 0.040070 -1.596179
H 8.699334 -0.734399 0.662151


