%chk=000042023.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042023

0 1
 O    5.399800     -0.7358000      -1.201700    
 O   0.5051000      -1.581100      0.9597000    
 O   -1.563400       2.355900     -3.5300002E-02
 O   -4.702900      -1.537300     -0.6768000    
 O   0.6199000       2.672400      0.6221000    
 N    3.072800      0.1339000      0.1876000    
 C    2.161900      0.1123000       1.330200    
 C    3.136000      -1.186500     -0.4543000    
 C    4.417900      0.5578000      0.6005000    
 C   0.7614000     -0.2625000      0.9243000    
 C    4.101400      -1.142800      -1.635300    
 C    5.352400      0.5611000     -0.6059000    
 C  -0.2998000      0.4747000      0.5264000    
 C   -1.337700     -0.4630000      0.2833000    
 C  -0.7925000      -1.711700      0.5642000    
 C   -2.675900     -0.3950000     -0.1422000    
 C  -0.3364000       1.901900      0.3900000    
 C   -1.490600      -2.912600      0.4513000    
 C   -3.403900      -1.586500     -0.2653000    
 C   -2.819400      -2.821500      2.6600000E-02
 C   -1.725200       3.767500     -0.2109000    
 C   -3.137300       4.047500     -0.6789000    
 C   -5.243400     -0.2488000     -0.9597000    
 H    2.141900       1.094200       1.816900    
 H    2.510000     -0.5956000       2.095500    
 H    2.167700      -1.492500     -0.8614000    
 H    3.469500      -1.948000      0.2627000    
 H    4.813400     -0.1226000       1.365900    
 H    4.384800       1.567000       1.026800    
 H    4.196400      -2.140100      -2.076800    
 H    3.748900     -0.4643000      -2.421900    
 H    5.041500       1.297900      -1.356700    
 H    6.368100      0.8193000     -0.2897000    
 H   -3.097300      0.5757000     -0.3598000    
 H   -1.030300      -3.866500      0.6795000    
 H   -3.403600      -3.733300     -7.6200001E-02
 H   -1.541100       4.274800      0.7423000    
 H   -1.007500       4.124500     -0.9575000    
 H   -3.296400       5.119600     -0.8237000    
 H   -3.340500       3.528700      -1.621500    
 H   -3.865200       3.676500      5.0299998E-02
 H   -4.726200      0.2317000      -1.797400    
 H   -5.268900      0.3843000     -6.6100001E-02
 H   -6.282400     -0.3971000      -1.272300    


%chk=000042023-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042023

0 1
O 5.590539 -0.632048 -1.238523
O 0.470712 -1.694523 0.881441
O -1.560614 2.415090 0.083202
O -4.830039 -1.553751 -0.841537
O 0.630605 2.671507 0.839449
N 3.122614 -0.092390 0.180395
C 2.183956 0.036988 1.326836
C 3.581503 -1.485517 -0.049695
C 4.275199 0.841443 0.270033
C 0.782485 -0.322245 0.933605
C 4.438139 -1.546476 -1.323895
C 5.112648 0.743275 -1.015613
C -0.323751 0.444237 0.555806
C -1.407027 -0.486207 0.235593
C -0.877723 -1.785880 0.446265
C -2.747912 -0.347752 -0.201600
C -0.324856 1.912403 0.521754
C -1.602570 -2.969746 0.249722
C -3.493628 -1.531388 -0.407074
C -2.932577 -2.825993 -0.185186
C -1.660750 3.904435 0.018790
C -3.072414 4.231110 -0.458513
C -5.475266 -0.265045 -1.097350
H 2.165776 1.093672 1.640810
H 2.497650 -0.587738 2.198324
H 2.703113 -2.145668 -0.161968
H 4.182599 -1.859489 0.818321
H 4.928866 0.609674 1.148402
H 3.891406 1.872201 0.382783
H 4.870158 -2.551068 -1.465102
H 3.813350 -1.279127 -2.203163
H 4.498190 1.070939 -1.881654
H 6.021488 1.363911 -0.946743
H -3.159368 0.648479 -0.367170
H -1.158933 -3.953283 0.424515
H -3.566646 -3.698785 -0.364083
H -1.448128 4.312361 1.023424
H -0.883326 4.275690 -0.673126
H -3.199728 5.326960 -0.524875
H -3.261257 3.800659 -1.457201
H -3.827670 3.837875 0.243923
H -4.951875 0.295211 -1.896789
H -5.516373 0.353825 -0.179560
H -6.495566 -0.513729 -1.424171


