%chk=000162302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162302

0 1
 O  -0.2631000     -0.8985000       1.311900    
 O    1.680500     -0.2270000       3.183600    
 N    2.839600     -0.5228000     -0.3170000    
 C   -1.665200       1.150000     -0.1250000    
 C   -2.517500       2.121700     -0.9494000    
 C   -1.990900       1.585000       1.313700    
 C   -2.325500       3.448100     -0.2314000    
 C   -2.278300       3.085900       1.248100    
 C   -1.863200     -0.3288000     -0.3797000    
 C   -1.156100      -1.281500      0.3473000    
 C   -2.768900     -0.7369000      -1.358900    
 C    3.268000      0.4894000      -1.288000    
 C    2.040200     -0.9284000       1.990000    
 C    2.489200      9.9299997E-02  0.9485000    
 C   0.8448000      -1.764500       1.538400    
 C   -1.346300      -2.638700      0.1045000    
 C   -2.963200      -2.095800      -1.606400    
 C    4.497200       1.227600     -0.7445000    
 C    2.115300       1.475300      -1.505900    
 C    3.615300     -0.2130000      -2.604900    
 C   -2.251900      -3.046600     -0.8748000    
 H  -0.6116000       1.380600     -0.3270000    
 H   -2.203400       2.175800      -1.996600    
 H   -3.582700       1.860900     -0.9180000    
 H   -2.876300       1.059300       1.693300    
 H   -1.169500       1.378800       2.007300    
 H   -1.373100       3.900900     -0.5323000    
 H   -3.121400       4.163600     -0.4583000    
 H   -3.234800       3.306800       1.734800    
 H   -1.506500       3.665700       1.765300    
 H   -3.336200     -3.7700001E-02  -1.963400    
 H    2.877800      -1.591900       2.236900    
 H    3.331400      0.6335000       1.401100    
 H    1.675700      0.8254000      0.8569000    
 H    1.131100      -2.332300      0.6446000    
 H   0.5670000      -2.464400       2.335600    
 H    3.584200      -1.204000     -0.1702000    
 H  -0.8411000      -3.413900      0.6723000    
 H   -3.667200      -2.414200      -2.369700    
 H    4.265400       1.926500      6.5800004E-02
 H    4.955100       1.832000      -1.537600    
 H    5.267600      0.5307000     -0.3936000    
 H    2.330700       2.117100      -2.369800    
 H    1.179300      0.9529000      -1.733200    
 H    1.948000       2.159100     -0.6679000    
 H    4.433900     -0.9301000      -2.472000    
 H    3.929600      0.5084000      -3.367800    
 H    2.753400     -0.7607000      -3.004000    
 H   -2.409000      -4.104700      -1.063100    
 H    1.428200     -0.8905000       3.848200    


%chk=000162302-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162302

0 1
O -0.146654 -0.624525 0.735425
O 1.358373 0.002250 2.959085
N 3.547852 -0.494734 -0.071284
C -2.097546 1.291456 0.176055
C -2.955916 2.380049 -0.515113
C -2.475584 1.489128 1.681176
C -2.769409 3.614768 0.404928
C -2.655370 3.030580 1.855484
C -2.250991 -0.141486 -0.314485
C -1.248595 -1.108816 0.001559
C -3.364850 -0.585552 -1.063909
C 3.932108 0.158082 -1.367281
C 1.976698 -0.717742 1.836352
C 2.713251 0.261702 0.888291
C 0.934654 -1.565555 1.095607
C -1.364257 -2.456856 -0.409419
C -3.498611 -1.931414 -1.481500
C 4.628924 1.535530 -1.155654
C 2.669718 0.334157 -2.248197
C 4.909567 -0.816164 -2.069359
C -2.496179 -2.865900 -1.150825
H -1.031414 1.578034 0.064866
H -2.654581 2.566621 -1.561724
H -4.022805 2.081453 -0.519845
H -3.425283 0.958461 1.883649
H -1.716523 1.063208 2.361058
H -1.836862 4.145272 0.133958
H -3.595868 4.340951 0.306388
H -3.558269 3.253865 2.451852
H -1.798739 3.477102 2.391933
H -4.142722 0.135489 -1.335094
H 2.713211 -1.396973 2.305148
H 3.279026 0.977484 1.525144
H 1.957274 0.842311 0.330608
H 1.391163 -2.002265 0.187232
H 0.525618 -2.356368 1.753903
H 4.385917 -0.875798 0.392525
H -0.588816 -3.186590 -0.160202
H -4.374445 -2.241228 -2.061515
H 3.963836 2.238449 -0.621048
H 4.899041 1.996664 -2.124072
H 5.555003 1.418921 -0.560892
H 2.949589 0.726034 -3.243017
H 2.159106 -0.636023 -2.379733
H 1.948311 1.043224 -1.802815
H 5.823468 -0.969625 -1.461998
H 5.221375 -0.418008 -3.051259
H 4.426801 -1.797594 -2.222953
H -2.585051 -3.911037 -1.467603
H 0.511058 0.392406 2.616271


