%chk=000126276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126276

0 1
 O   -1.333400       2.433500      0.6827000    
 O    1.239100       3.256200      -1.800400    
 O    1.251000       5.647700     -0.3811000    
 O    2.372400       4.741300       2.015500    
 O   -4.699900      -2.797800       1.297400    
 O   -5.676400       1.495100     -2.1299999E-02
 N   -1.321700     -5.2999998E-03 -0.7417000    
 N   -2.172800      -2.443800      0.4228000    
 N   -3.549000      0.7682000     -0.3758000    
 N    4.091900      -1.449600     -0.2817000    
 N   -5.215000     -0.6265000      0.6367000    
 N    5.464300      -1.462100       1.436500    
 C  -0.2963000       2.172700     -0.2640000    
 C  -0.8481000       1.238300      -1.347300    
 C   0.2167000       3.508600     -0.8375000    
 C  -0.4063000      -1.072700     -0.6099000    
 C   0.7793000       4.451800      0.2429000    
 C   -2.631900     -0.1508000     -0.3012000    
 C  -0.8538000      -2.276000     -2.7400000E-02
 C   0.9355000      -1.003700      -1.029600    
 C    1.802300      -2.089100     -0.8775000    
 C    1.347200      -3.268000     -0.3024000    
 C   -3.017600      -1.471300      0.3068000    
 C   2.4900001E-02  -3.360200      0.1206000    
 C    1.935000       3.822300       1.019300    
 C    3.216300      -1.957500      -1.341600    
 C    2.252400      -4.442000     -0.1266000    
 C   -4.402400      -1.722100      0.8072000    
 C   -4.841300      0.5925000      7.0100002E-02
 C    4.358200     -0.1455000     -4.0100001E-02
 C    4.764200      -2.210600      0.6133000    
 C    5.215200     -0.1736000       1.035000    
 H   0.5150000       1.651700      0.2542000    
 H   -1.699900       1.737500      -1.829400    
 H  -0.1443000       1.074800      -2.169200    
 H  -0.5979000       4.025800      -1.359600    
 H  -1.8100001E-02   4.749500      0.9335000    
 H    1.345700     -9.8899998E-02  -1.467700    
 H  -0.3387000      -4.280100      0.5752000    
 H    1.654900       2.899900       1.532300    
 H    2.792500       3.623300      0.3693000    
 H    3.656600      -2.880500      -1.727700    
 H    3.283400      -1.243400      -2.173300    
 H   -1.481400       1.615200       1.185900    
 H    1.539600       4.116700      -2.139400    
 H    1.663600      -5.360900     -1.1700000E-02
 H    2.897900      -4.626500     -0.9878000    
 H    2.845100      -4.336500      0.7845000    
 H    1.605200       6.221500      0.3197000    
 H   -6.177500     -0.7104000      0.9515000    
 H    1.623500       4.902300       2.614600    
 H    3.940400      0.6673000     -0.6178000    
 H    4.753300      -3.290200      0.6184000    
 H    5.664900      0.6687000       1.540200    


%chk=000126276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126276

0 1
O -1.621282 3.107944 0.153445
O 1.738021 2.335653 -1.156911
O 2.203126 4.871074 -0.607393
O 1.927848 5.147905 2.089173
O -4.874995 -2.817618 1.216745
O -5.337194 1.804536 0.843392
N -1.342521 -0.085320 -0.723844
N -2.151780 -2.608460 0.299194
N -3.307489 0.907728 0.091203
N 4.104600 -1.368078 -0.357257
N -5.060927 -0.503915 0.974399
N 5.714160 -1.358132 1.242562
C -0.520454 2.270695 -0.292759
C -0.999186 1.222334 -1.337879
C 0.550922 3.178535 -0.913690
C -0.418978 -1.143828 -0.701870
C 0.944763 4.369813 -0.014994
C -2.579096 -0.204921 -0.086760
C -0.858681 -2.411747 -0.175655
C 0.918376 -1.005907 -1.145682
C 1.814518 -2.086957 -1.062954
C 1.390118 -3.365601 -0.552751
C -2.965969 -1.553500 0.339563
C 0.059680 -3.497933 -0.127319
C 1.204479 4.015313 1.461314
C 3.261251 -1.831078 -1.481264
C 2.344829 -4.540185 -0.454312
C -4.359770 -1.723054 0.877763
C -4.598406 0.807049 0.642977
C 3.988971 -0.141217 0.316610
C 5.158769 -2.064028 0.240039
C 4.985602 -0.155836 1.294978
H -0.052289 1.723229 0.556855
H -1.908627 1.612757 -1.826769
H -0.228402 1.050055 -2.101437
H 0.186155 3.588180 -1.879096
H 0.155779 5.143442 -0.076479
H 1.292218 -0.038313 -1.495290
H -0.317980 -4.443306 0.273848
H 0.256506 3.794038 1.983817
H 1.897504 3.162196 1.548644
H 3.728218 -2.744147 -1.886662
H 3.285409 -1.063427 -2.275154
H -2.437247 2.500953 0.210073
H 2.484663 2.994891 -1.257095
H 1.834772 -5.427058 -0.045047
H 2.756998 -4.820731 -1.442228
H 3.200056 -4.310862 0.207989
H 2.663618 5.379674 0.116333
H -6.015936 -0.554031 1.346712
H 1.276754 5.836445 2.376377
H 3.241132 0.602412 0.046340
H 5.484313 -3.045420 -0.099981
H 5.226882 0.614559 2.023586


