%chk=000154759.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154759

0 1
 O    4.465800     -0.8098000       1.489200    
 O    4.866400       1.059300      -1.587100    
 O   -2.270700      -3.193800      0.7434000    
 N  -0.4757000       1.294900      0.1927000    
 C    2.650800     -0.6721000     -1.6000001E-02
 C    4.145100     -0.4956000      0.1335000    
 C    1.771300      0.4237000      0.1328000    
 C   0.3759000      0.2527000      5.2099999E-02
 C  -0.1174000      -1.043100     -0.1867000    
 C    4.632100      0.9276000     -0.1864000    
 C   -1.502300      -1.223200     -0.2722000    
 C    2.130400      -1.947000     -0.2450000    
 C   -2.373700     -0.1414000     -0.1246000    
 C    2.347100       1.758400      0.3786000    
 C   0.7561000      -2.129800     -0.3344000    
 C    3.654800       1.992500      0.2081000    
 C   -1.808300       1.119700      0.1103000    
 C   -2.064500      -2.595100     -0.5261000    
 C   -3.769200     -0.2940000     -0.2059000    
 C   -2.667000       2.205700      0.2590000    
 C   -4.606900      0.8067000     -5.3599998E-02
 C   -4.054100       2.059600      0.1794000    
 C   -6.086000      0.6441000     -0.1409000    
 H    4.660500      -1.218300     -0.5114000    
 H    5.581600       1.122100      0.3265000    
 H    2.791200      -2.804300     -0.3427000    
 H    1.689900       2.572900      0.6630000    
 H   0.4280000      -3.151600     -0.4872000    
 H    4.035300       2.999600      0.3540000    
 H   -3.001600      -2.590100      -1.088100    
 H   -1.420500      -3.232400      -1.137000    
 H   -4.249600      -1.253800     -0.3621000    
 H   -2.257100       3.197500      0.4418000    
 H    5.433800     -0.7769000       1.575900    
 H   -4.686500       2.935100      0.3000000    
 H    5.555300      0.4175000      -1.830400    
 H   -6.412700     -0.2346000      0.4256000    
 H   -6.612900       1.509600      0.2749000    
 H   -6.390700      0.5269000      -1.185700    
 H   -2.635800      -4.081000      0.5854000    


%chk=000154759-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154759

0 1
O 4.491251 -0.781456 1.582566
O 5.006099 1.140522 -1.613878
O -2.716972 -3.253944 0.653787
N -0.432746 1.278982 0.106154
C 2.708559 -0.658154 0.001975
C 4.198478 -0.437146 0.167189
C 1.823258 0.426696 0.080566
C 0.390236 0.192946 -0.000001
C -0.116799 -1.166492 -0.191688
C 4.683926 1.002306 -0.168770
C -1.529914 -1.356929 -0.293192
C 2.205964 -1.986561 -0.162502
C -2.391912 -0.229946 -0.136520
C 2.339326 1.792543 0.235280
C 0.841719 -2.239214 -0.261160
C 3.668310 2.074646 0.133830
C -1.784710 1.081916 0.053932
C -2.129225 -2.713753 -0.596376
C -3.829417 -0.322798 -0.152157
C -2.638442 2.232451 0.187113
C -4.640446 0.803431 -0.017037
C -4.019078 2.097839 0.147715
C -6.153626 0.703231 -0.021732
H 4.749156 -1.138672 -0.501956
H 5.606597 1.186160 0.430436
H 2.918776 -2.818772 -0.191701
H 1.597687 2.578920 0.400150
H 0.498880 -3.272885 -0.361265
H 4.036945 3.103118 0.206877
H -2.917588 -2.602732 -1.370399
H -1.363686 -3.404472 -0.994801
H -4.294435 -1.310445 -0.230793
H -2.152065 3.203364 0.322095
H 5.473741 -0.734520 1.724062
H -4.660191 2.982010 0.251888
H 5.803273 0.582909 -1.816341
H -6.493301 -0.339253 -0.142806
H -6.581808 1.091702 0.922011
H -6.591365 1.301817 -0.843620
H -3.096253 -4.151166 0.463766


