%chk=000036536.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036536

0 1
 O   -1.290500       1.590600      7.4699998E-02
 O  -0.2525000      0.2585000       1.616700    
 O    5.972200      -1.028600      0.2287000    
 N   -4.039400     -0.9070000      3.5799999E-02
 N   0.8614000       1.064500     -0.2780000    
 C   -2.576400       1.060500      0.3780000    
 C   -3.634100       1.973700     -0.2339000    
 C   -2.691200     -0.3641000     -0.1723000    
 C   -5.020600       1.362100     -8.1299998E-02
 C   -5.056000     -7.0400000E-02 -0.6172000    
 C   -4.118300      -2.283600     -0.4524000    
 C   -5.461800      -2.908100     -0.1369000    
 C  -0.2131000      0.9013000      0.5747000    
 C    2.163800      0.5305000     -0.1491000    
 C    3.112000      0.8117000      -1.119700    
 C    2.467100     -0.2635000      0.9455000    
 C    4.397300      0.2850000     -0.9925000    
 C    3.752400     -0.7901000       1.072700    
 C    4.717500     -0.5159000      0.1037000    
 C    6.910200     -0.7071000     -0.7973000    
 H   -2.710100       1.056700       1.468400    
 H   -3.412700       2.140200      -1.296100    
 H   -3.597100       2.962700      0.2378000    
 H   -2.419700     -0.3736000      -1.237400    
 H   -1.968000      -1.017600      0.3282000    
 H   -5.308400       1.366900      0.9778000    
 H   -5.755300       1.975700     -0.6149000    
 H   -6.066600     -0.4410000     -0.4188000    
 H   -4.915700     -6.0500000E-02  -1.706100    
 H   -3.924300      -2.344200      -1.530800    
 H   -3.349100      -2.885800      4.7200002E-02
 H   -5.748500      -2.748600      0.9082000    
 H   -6.260900      -2.534400     -0.7843000    
 H   -5.409900      -3.990700     -0.2986000    
 H   0.6974000       1.639000      -1.101100    
 H    2.872000       1.434600      -1.977100    
 H    1.774800     -0.5193000       1.734300    
 H    5.097900      0.5378000      -1.781000    
 H    3.997500      -1.413400       1.928500    
 H    7.109300      0.3692000     -0.8377000    
 H    6.598600      -1.108400      -1.767600    
 H    7.854200      -1.197000     -0.5372000    


%chk=000036536-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036536

0 1
O -1.202780 0.971551 -0.511015
O -0.182950 -0.399551 1.123788
O 6.428948 -0.678674 0.454484
N -4.432130 -0.942192 -0.064343
N 1.039839 0.744945 -0.557211
C -2.548668 0.660395 0.057857
C -3.464383 1.825749 -0.329025
C -3.050989 -0.671658 -0.532658
C -4.920157 1.492812 0.076226
C -5.359112 0.130788 -0.500970
C -4.876787 -2.310118 -0.436962
C -6.161715 -2.755284 0.285724
C -0.101450 0.355853 0.121875
C 2.388277 0.376176 -0.284519
C 3.397245 0.882886 -1.139350
C 2.755199 -0.469862 0.798723
C 4.755709 0.559815 -0.932357
C 4.107556 -0.791217 1.004606
C 5.114749 -0.283928 0.146906
C 7.498367 -0.184086 -0.412894
H -2.452543 0.557943 1.153939
H -3.403916 1.974336 -1.425619
H -3.119451 2.758474 0.152624
H -2.987517 -0.607553 -1.651228
H -2.391784 -1.490628 -0.194924
H -5.003782 1.452053 1.178959
H -5.601601 2.286768 -0.283255
H -6.376203 -0.108953 -0.146265
H -5.399826 0.197226 -1.622285
H -5.018127 -2.405352 -1.545851
H -4.057707 -3.001140 -0.160956
H -6.047171 -2.627871 1.376567
H -7.048832 -2.182965 -0.039743
H -6.362812 -3.821971 0.076109
H 0.873833 1.369300 -1.349295
H 3.125824 1.536620 -1.978114
H 1.981642 -0.862841 1.461413
H 5.509499 0.967683 -1.611919
H 4.405938 -1.440833 1.833109
H 7.556663 0.922288 -0.393375
H 7.363743 -0.528913 -1.457305
H 8.424762 -0.609773 0.000130


