%chk=000072004.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072004

0 1
 O    6.239200      -1.379200      0.3740000    
 O    6.016500       1.218800       1.601600    
 O    4.575100       3.070400     -9.1799997E-02
 O    4.952400      -3.264500     -0.8199000    
 O  -0.3063000      0.1461000      0.8929000    
 O   -6.485300     -0.4387000      0.2506000    
 O   -6.179700       1.110800      -1.424000    
 N    2.910400     -0.1771000     -0.8773000    
 C    4.108800      -1.034400     -0.7582000    
 C    5.018700     -0.6372000      0.4249000    
 C    5.391900      0.8480000      0.3708000    
 C    4.160200       1.730500      0.1761000    
 C    3.295700       1.235600     -0.9857000    
 C    1.912300     -0.3820000      0.1719000    
 C    3.751900      -2.527900     -0.7321000    
 C   0.6388000      0.3872000     -0.1412000    
 C   -1.630800      0.2054000      0.5456000    
 C   -2.035000       1.046500     -0.4848000    
 C   -2.556500     -0.5748000       1.228700    
 C   -3.383300       1.108300     -0.8368000    
 C   -3.904800     -0.5133000      0.8765000    
 C   -4.318200      0.3284000     -0.1562000    
 C   -5.723900      0.3938000     -0.5234000    
 C   -7.891600     -0.4643000     -1.6600000E-02
 C   -8.556600      -1.436400      0.9343000    
 H    4.702900     -0.8925000      -1.674000    
 H    4.545300     -0.8679000       1.387300    
 H    6.132000       1.030200     -0.4185000    
 H    3.579800       1.770700       1.105300    
 H    3.875500       1.352000      -1.913700    
 H    2.453700       1.911600      -1.160200    
 H    2.278900     -0.1135000       1.169700    
 H    1.622700      -1.436400      0.2397000    
 H    3.106200      -2.806100      -1.571700    
 H    3.261600      -2.820800      0.2005000    
 H    6.031100      -2.303800      0.5894000    
 H   0.2670000      5.1899999E-02  -1.118800    
 H   0.8016000       1.467500     -0.1583000    
 H    6.230500       2.166000       1.545500    
 H    3.772800       3.610400     -0.1940000    
 H    5.360400      -3.069200      -1.680700    
 H   -1.345200       1.691200      -1.020600    
 H   -2.238000      -1.231200       2.033600    
 H   -3.685500       1.775200      -1.640100    
 H   -4.597000      -1.138100       1.434000    
 H   -8.059200     -0.7830000      -1.051300    
 H   -8.307100      0.5391000      0.1267000    
 H   -9.634800      -1.481100      0.7574000    
 H   -8.136600      -2.440500      0.8148000    
 H   -8.380500      -1.140000       1.973600    


%chk=000072004-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072004

0 1
O 6.441670 -1.410959 -0.026432
O 6.460781 0.792229 1.890198
O 5.200354 3.114935 0.788931
O 4.744454 -3.010615 -1.540062
O -0.410663 -0.198058 0.617740
O -6.783491 -0.430288 0.326868
O -6.399463 -0.007453 -1.934833
N 3.076191 0.284700 -0.614818
C 4.195079 -0.673605 -0.808273
C 5.251526 -0.647440 0.350359
C 5.718407 0.790168 0.627707
C 4.548839 1.788877 0.722744
C 3.590705 1.668030 -0.487921
C 1.981638 -0.057927 0.327070
C 3.667335 -2.101932 -1.088281
C 0.630919 0.021510 -0.402710
C -1.748807 -0.183871 0.211219
C -2.175134 0.036016 -1.125067
C -2.700998 -0.408416 1.239921
C -3.552203 0.027026 -1.417600
C -4.070660 -0.414439 0.935641
C -4.512042 -0.196681 -0.399198
C -5.949787 -0.194780 -0.774204
C -8.247904 -0.448087 0.038551
C -8.953796 -0.723183 1.362579
H 4.734421 -0.341911 -1.724517
H 4.793084 -1.060230 1.278420
H 6.372771 1.107777 -0.214258
H 3.997843 1.592204 1.667709
H 4.137192 1.945156 -1.410308
H 2.740100 2.367910 -0.384084
H 1.948790 0.628944 1.197554
H 2.106566 -1.072033 0.744075
H 2.852154 -2.054531 -1.837579
H 3.289805 -2.590437 -0.174675
H 6.128557 -2.288604 -0.388379
H 0.566640 -0.753616 -1.191620
H 0.503472 1.018251 -0.871365
H 6.782561 1.720461 2.029955
H 4.549901 3.792630 1.100085
H 5.036174 -2.746948 -2.449567
H -1.454071 0.211027 -1.928375
H -2.341387 -0.574910 2.259657
H -3.907160 0.192802 -2.440213
H -4.812040 -0.586893 1.720364
H -8.444709 -1.229811 -0.717546
H -8.529382 0.527428 -0.397981
H -10.047517 -0.749186 1.204909
H -8.640358 -1.694579 1.781863
H -8.728356 0.065043 2.101249


