%chk=000027080.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027080

0 1
 O   0.7125000      -1.739700     -0.4670000    
 O    1.183400      -2.441100       1.674400    
 N   -2.218700      6.5200001E-02 -0.9048000    
 N    6.556500      0.5887000     -0.1628000    
 C   -3.650100     -0.1615000      -1.065500    
 C   -1.924600       1.498800     -0.8699000    
 C   -1.470200     -0.5805000      -1.984600    
 C   -4.366500     -1.9999999E-04  0.2742000    
 C  -0.5623000       1.745300     -0.2237000    
 C   -5.868700     -0.2553000      0.1324000    
 C  -0.2441000       3.240600     -0.1575000    
 C   -1.312700      -2.071100      -1.702200    
 C   -6.594200     -5.9999999E-02   1.463500    
 C    1.133600       3.489600      0.4562000    
 C  -0.5837000      -2.316700     -0.3881000    
 C   -8.082000     -0.3449000       1.333900    
 C    1.439500       4.975700      0.5542000    
 C    1.496400      -1.874900      0.6386000    
 C    2.817800      -1.230900      0.4296000    
 C    3.773600      -1.254500       1.445300    
 C    3.103500     -0.6028000     -0.7825000    
 C    5.015200     -0.6499000       1.248800    
 C    4.345000      1.9000000E-03 -0.9791000    
 C    5.300800     -2.1600001E-02  3.6600001E-02
 H   -4.079600      0.5110000      -1.820200    
 H   -3.858900      -1.179000      -1.415300    
 H   -1.961300       1.935500      -1.877000    
 H   -2.663800       2.046000     -0.2747000    
 H  -0.4679000     -0.1591000      -2.113600    
 H   -1.969700     -0.4358000      -2.952200    
 H   -3.947100     -0.7051000       1.003700    
 H   -4.223900       1.004700      0.6854000    
 H  -0.5545000       1.327700      0.7915000    
 H   0.2427000       1.250200     -0.7757000    
 H   -6.034800      -1.276700     -0.2312000    
 H   -6.289300      0.4270000     -0.6164000    
 H   -1.010000       3.752900      0.4373000    
 H  -0.2773000       3.669500      -1.166400    
 H  -0.7280000      -2.507400      -2.521900    
 H   -2.275700      -2.591200      -1.692000    
 H   -6.453600      0.9679000       1.817500    
 H   -6.166500     -0.7259000       2.222000    
 H    1.180700       3.046800       1.458100    
 H    1.905700       3.001600     -0.1502000    
 H   -1.133500      -1.900000      0.4633000    
 H  -0.4835000      -3.398000     -0.2362000    
 H   -8.547600      0.3252000      0.6042000    
 H   -8.257500      -1.377000       1.014000    
 H   -8.581300     -0.1982000       2.296800    
 H    1.430800       5.443800     -0.4353000    
 H   0.7041000       5.487100       1.183300    
 H    2.429500       5.130400      0.9946000    
 H    3.570500      -1.738600       2.396800    
 H    2.388700     -0.5598000      -1.599400    
 H    5.751800     -0.6750000       2.047800    
 H    4.555900      0.4887000      -1.927900    
 H    6.763200       1.046400      -1.040600    
 H    7.249100      0.5741000      0.5740000    


%chk=000027080-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027080

0 1
O 0.893691 -1.735387 -0.423051
O 1.422378 -1.933716 1.841825
N -2.345184 0.046572 -0.902593
N 6.916900 0.477847 -0.692046
C -3.803214 -0.166730 -1.091277
C -1.961154 1.479596 -0.803774
C -1.518215 -0.719537 -1.869865
C -4.620023 -0.001518 0.208252
C -0.678283 1.701352 0.025679
C -6.136707 -0.197491 -0.014197
C -0.237870 3.181803 0.065148
C -1.276225 -2.177532 -1.413352
C -6.963388 -0.068278 1.285625
C 1.053766 3.401578 0.885885
C -0.472035 -2.255769 -0.116515
C -8.478262 -0.262986 1.059533
C 1.506768 4.877236 0.914976
C 1.761971 -1.610816 0.672402
C 3.083595 -1.068610 0.280065
C 4.062336 -0.866180 1.291003
C 3.413303 -0.743839 -1.064118
C 5.329410 -0.355200 0.977224
C 4.678756 -0.232654 -1.390397
C 5.660998 -0.028555 -0.373489
H -4.217837 0.513355 -1.880268
H -3.951993 -1.198783 -1.464654
H -1.832985 1.939623 -1.818097
H -2.792417 2.025504 -0.318696
H -0.535503 -0.225425 -1.964369
H -1.976379 -0.723105 -2.889351
H -4.245179 -0.731661 0.952001
H -4.442244 1.003624 0.641244
H -0.856929 1.328288 1.053394
H 0.148613 1.088289 -0.385598
H -6.319313 -1.197306 -0.462447
H -6.502397 0.545129 -0.754645
H -1.053109 3.803976 0.492057
H -0.077897 3.548664 -0.971259
H -0.751445 -2.734211 -2.214377
H -2.246129 -2.685964 -1.243395
H -6.780641 0.929086 1.735581
H -6.599289 -0.811951 2.023383
H 0.891387 3.041529 1.921978
H 1.862656 2.770433 0.464470
H -0.925694 -1.623568 0.666537
H -0.373070 -3.289772 0.260935
H -8.872682 0.486649 0.347551
H -8.691429 -1.265375 0.642136
H -9.044898 -0.163181 2.003675
H 1.706399 5.251165 -0.107436
H 0.726407 5.523263 1.360561
H 2.430910 5.005514 1.508370
H 3.801113 -1.120319 2.323868
H 2.665158 -0.903194 -1.845954
H 6.073192 -0.204718 1.769090
H 4.920391 0.011709 -2.432116
H 7.158500 0.709624 -1.651305
H 7.618821 0.621827 0.028293


