%chk=000063067.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063067

0 1
 O    2.278400      0.2999000       1.629100    
 O   -3.326700      -1.094500      -1.124600    
 O   -6.873600      -1.616000      0.9399000    
 N   -6.659800     -0.3878000      0.3692000    
 C    2.655900      0.9948000      0.4337000    
 C    2.060400     -0.3807000      0.3879000    
 C    4.129100       1.192500      0.3075000    
 C    1.877100       2.202600      7.7200003E-02
 C   0.6371000     -0.5688000     -1.1500000E-02
 C    2.928200      -1.556700      0.1218000    
 C    4.661100       2.196400       1.319000    
 C    1.854000       2.664400      -1.243900    
 C    1.154800       2.892800       1.057500    
 C   0.2222000     -0.2235000      -1.297800    
 C  -0.2800000      -1.090700      0.9006000    
 C    3.085500      -2.547600       1.094200    
 C    3.589400      -1.678500      -1.103100    
 C   -1.109900     -0.4003000      -1.672000    
 C   -1.612000      -1.267700      0.5265000    
 C    1.118300       3.801000      -1.580000    
 C   0.4190000       4.029200      0.7212000    
 C    3.898400      -3.653000      0.8433000    
 C    4.402200      -2.784000      -1.353900    
 C   -2.018000     -0.9211000     -0.7572000    
 C   0.4008000       4.483200     -0.5974000    
 C    4.556800      -3.771100     -0.3808000    
 C   -4.301400     -0.9833000     -9.5299996E-02
 C   -5.608500     -0.5126000     -0.6961000    
 C   -6.198100      0.5756000       1.424800    
 C   -7.940900      0.1054000     -0.2401000    
 H    4.401900       1.510200     -0.7059000    
 H    4.685500      0.2672000      0.4897000    
 H    5.751800       2.260400       1.246700    
 H    4.407600       1.903700       2.343200    
 H    4.261200       3.200300       1.145200    
 H    2.408400       2.146400      -2.022400    
 H    1.158000       2.561600       2.092700    
 H   0.9265000      0.1483000      -2.035400    
 H   3.0300001E-02  -1.370200       1.904000    
 H    2.578800      -2.470500       2.052700    
 H    3.476200     -0.9197000      -1.873100    
 H   -1.427300     -0.1375000      -2.677000    
 H   -2.285700      -1.703700       1.257500    
 H    1.104300       4.154600      -2.606700    
 H  -0.1387000       4.561300       1.486400    
 H    4.018700      -4.421900       1.600900    
 H    4.914100      -2.876500      -2.307400    
 H  -0.1718000       5.368200     -0.8592000    
 H    5.189500      -4.632000     -0.5762000    
 H   -4.420300      -1.960700      0.3858000    
 H   -3.960300     -0.2551000      0.6468000    
 H   -5.503100      0.4651000      -1.180500    
 H   -5.982700      -1.227800      -1.438200    
 H   -7.064400      0.8070000       2.052300    
 H   -5.828000       1.479900      0.9354000    
 H   -5.441400      9.3199998E-02   2.047400    
 H   -8.236800     -0.6103000      -1.011900    
 H   -7.756300       1.096100     -0.6633000    
 H   -8.693000      0.1437000      0.5527000    


%chk=000063067-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063067

0 1
O 2.553257 0.367756 1.686465
O -3.426460 -0.205456 -0.944846
O -6.590790 -1.907079 1.115331
N -6.930045 -0.795098 0.272938
C 2.986041 1.054883 0.403424
C 2.172180 -0.254527 0.360860
C 4.496054 1.029740 0.171436
C 2.291093 2.372641 0.146201
C 0.696320 -0.205964 0.042124
C 2.849831 -1.583184 0.088470
C 5.252939 1.939693 1.165686
C 2.566589 3.115602 -1.031762
C 1.362308 2.894272 1.081015
C 0.225618 0.214844 -1.228208
C -0.242374 -0.639594 1.004612
C 3.684292 -2.180294 1.067436
C 2.634672 -2.263207 -1.138809
C -1.148173 0.200008 -1.528918
C -1.625708 -0.655458 0.723307
C 1.919802 4.347626 -1.273190
C 0.721280 4.129440 0.843576
C 4.301395 -3.426523 0.820434
C 3.263056 -3.502435 -1.389680
C -2.077458 -0.235782 -0.552824
C 0.994291 4.860985 -0.335323
C 4.098963 -4.090044 -0.411372
C -4.429057 -0.609412 0.059225
C -5.763258 -0.490998 -0.680785
C -7.243562 0.420149 1.141926
C -8.163366 -1.150458 -0.548961
H 4.707604 1.349581 -0.867470
H 4.860473 -0.007177 0.261198
H 6.342736 1.882969 0.992560
H 5.051465 1.623104 2.204554
H 4.943977 2.995365 1.064438
H 3.283933 2.735305 -1.768476
H 1.158150 2.318572 1.988945
H 0.935260 0.577235 -1.980663
H 0.112497 -0.959252 1.990346
H 3.829115 -1.658110 2.018808
H 1.966552 -1.832653 -1.892216
H -1.522151 0.531187 -2.502431
H -2.327437 -0.996702 1.489792
H 2.139395 4.906544 -2.190115
H 0.008482 4.520576 1.578468
H 4.937205 -3.879691 1.589515
H 3.092702 -4.014296 -2.343695
H 0.494977 5.818769 -0.520730
H 4.579338 -5.055811 -0.604793
H -4.283608 -1.649743 0.394878
H -4.372275 0.063940 0.937065
H -5.887041 0.516008 -1.120127
H -5.799655 -1.245977 -1.482406
H -8.035213 0.108457 1.837767
H -7.563285 1.287250 0.534967
H -6.338956 0.659758 1.718024
H -7.932911 -2.090391 -1.070457
H -8.423349 -0.349906 -1.266427
H -8.984910 -1.325835 0.160794


