%chk=000157218.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157218

0 1
 O    2.805200     -0.4854000       2.148100    
 O    3.568700       1.604300      0.5439000    
 O    2.475700       1.878500      -1.981500    
 O   -4.394000       1.847900       1.467200    
 N  -0.8473000      -3.011100     -0.2634000    
 C  -0.3000000      -2.144500      -1.325700    
 C   0.7155000      -1.127600     -0.8203000    
 C    1.308600      -1.287200      0.4488000    
 C   0.9023000      -2.426800       1.347900    
 C   0.2210000      -3.551400      0.5737000    
 C   -1.501500      -1.502400      -2.031400    
 C    2.255200     -0.3579000      0.9049000    
 C    1.140900     -6.1900001E-02  -1.629900    
 C   -2.271000     -0.6109000      -1.100000    
 C    2.644700      0.7073000      9.6600004E-02
 C    2.092800      0.8512000      -1.172100    
 C   -3.314800      -1.138500     -0.3494000    
 C   -1.931900      0.7331000     -0.9990000    
 C   -4.030000     -0.3097000      0.5151000    
 C   -2.647000       1.561700     -0.1344000    
 C   -3.696100       1.040400      0.6227000    
 C    2.131800      0.1665000       3.221300    
 C    4.937600       1.314100      0.2702000    
 C    1.733900       3.092400      -1.882100    
 C   -4.000400       3.218000       1.528700    
 H   0.2231000      -2.782600      -2.051300    
 H    1.777800      -2.843100       1.859700    
 H   0.2136000      -2.041300       2.109700    
 H   0.9461000      -4.100500     -4.0399998E-02
 H  -0.2039000      -4.269200       1.284100    
 H   -1.367700      -3.777600     -0.6898000    
 H   -2.168900      -2.282500      -2.425000    
 H   -1.194900     -0.9368000      -2.919800    
 H   0.7536000      5.4900002E-02  -2.638800    
 H   -3.594700      -2.185100     -0.4296000    
 H   -1.158300       1.177600      -1.613600    
 H   -4.847700     -0.7210000       1.100800    
 H   -2.342500       2.602400     -0.1080000    
 H    2.199200       1.253000       3.107100    
 H    2.624200     -0.1159000       4.155800    
 H    1.081800     -0.1362000       3.275500    
 H    5.548300       2.118200      0.6896000    
 H    5.113500       1.268200     -0.8091000    
 H    5.233000      0.3702000      0.7392000    
 H    1.763600       3.482700     -0.8598000    
 H   0.6970000       2.932800      -2.193400    
 H    2.189900       3.828100      -2.550300    
 H   -2.977000       3.326300       1.904000    
 H   -4.659400       3.711600       2.250400    
 H   -4.145100       3.721600      0.5669000    


%chk=000157218-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157218

0 1
O 3.026595 -0.891685 2.058032
O 3.642853 1.498847 0.612008
O 2.232394 2.005796 -1.863935
O -4.444268 2.252074 1.476720
N -0.745734 -3.208127 -0.390062
C -0.372491 -2.175893 -1.389667
C 0.661898 -1.202940 -0.809808
C 1.347550 -1.493416 0.401272
C 1.078474 -2.769021 1.185071
C 0.413686 -3.827580 0.287859
C -1.659375 -1.488464 -1.942356
C 2.314588 -0.568678 0.873471
C 0.964073 -0.015784 -1.516057
C -2.366615 -0.484864 -1.037670
C 2.640625 0.607603 0.149830
C 1.938179 0.890553 -1.052429
C -2.618080 -0.748305 0.338041
C -2.827886 0.741974 -1.570086
C -3.303478 0.180194 1.141524
C -3.524378 1.686799 -0.779292
C -3.763298 1.400201 0.585825
C 2.794271 0.036007 3.188839
C 5.017904 0.961023 0.471915
C 2.113495 3.329664 -1.214081
C -4.952943 3.514147 0.940320
H 0.116669 -2.657496 -2.279538
H 2.021764 -3.151542 1.613383
H 0.404691 -2.550282 2.037056
H 1.169094 -4.226511 -0.434623
H 0.055641 -4.675164 0.899700
H -1.384974 -3.900838 -0.802347
H -2.358084 -2.309259 -2.216040
H -1.403938 -0.990953 -2.897150
H 0.448662 0.238751 -2.446861
H -2.250821 -1.689056 0.761463
H -2.641704 0.974420 -2.626748
H -3.497795 -0.017276 2.200734
H -3.863915 2.623699 -1.231874
H 3.104107 1.061617 2.920354
H 3.409721 -0.349962 4.016249
H 1.725988 0.027539 3.477827
H 5.683424 1.741550 0.872379
H 5.246784 0.777783 -0.594295
H 5.124571 0.027190 1.052841
H 2.796718 3.405130 -0.351381
H 1.068445 3.501048 -0.889993
H 2.388550 4.058358 -1.992313
H -4.131441 4.155559 0.563893
H -5.449407 4.009311 1.788129
H -5.686291 3.342159 0.127670


