%chk=000168913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168913

0 1
 O   -1.031300     -0.3507000       1.297400    
 O    2.494800       2.712800      0.2757000    
 O    3.280600      -1.989500      3.8800001E-02
 N   -3.411700     -0.2091000     -0.2299000    
 C   -3.132000      -1.316000      0.6841000    
 C   -2.860700     -0.4888000      -1.555300    
 C   -4.851700      3.1700000E-02 -0.3154000    
 C   -1.634000      -1.542500      0.8104000    
 C   -3.088600      0.6773000      -2.502000    
 C   -5.441700      0.3243000       1.053800    
 C   0.2650000     -0.1151000      0.9202000    
 C    1.123500      -1.185200      0.6685000    
 C   0.7258000       1.194700      0.7879000    
 C    2.045200       1.434500      0.4040000    
 C    2.442900     -0.9455000      0.2845000    
 C    2.903800      0.3644000      0.1523000    
 C    1.539900       3.701700     -0.1063000    
 C    2.692200      -3.192500     -0.4533000    
 C    2.246000       4.797400     -0.8761000    
 C    3.692100      -3.904000      -1.339500    
 H   -3.622800      -2.243500      0.3635000    
 H   -3.482400      -1.079400       1.694200    
 H   -1.773900     -0.6016000      -1.520600    
 H   -3.276100      -1.407200      -1.988800    
 H   -5.058400      0.9193000     -0.9220000    
 H   -5.382900     -0.8131000     -0.7718000    
 H   -1.205100      -1.912600     -0.1270000    
 H   -1.472500      -2.327200       1.560900    
 H   -2.477300      0.5445000      -3.402000    
 H   -2.797100       1.631200      -2.048900    
 H   -4.127200      0.7459000      -2.839900    
 H   -6.450300      0.7368000      0.9360000    
 H   -4.850800       1.065700       1.602900    
 H   -5.546800     -0.5763000       1.666600    
 H   0.7861000      -2.202700      0.8374000    
 H   3.6699999E-02   2.002600       1.017700    
 H    3.932000      0.5513000     -0.1471000    
 H   0.7633000       3.287800     -0.7617000    
 H    1.076200       4.120800      0.7934000    
 H    2.424700      -3.834300      0.3934000    
 H    1.800000      -2.994500      -1.060800    
 H    3.037100       5.247800     -0.2675000    
 H    2.726800       4.391000      -1.772200    
 H    1.543700       5.580200      -1.176400    
 H    3.979700      -3.268800      -2.184100    
 H    4.608700      -4.128200     -0.7838000    
 H    3.277100      -4.839000      -1.726300    


%chk=000168913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168913

0 1
O -1.076412 -0.090075 0.542766
O 2.779768 2.860162 0.381711
O 3.472107 -1.733346 -0.606404
N -3.920482 -0.680277 -0.527427
C -3.184768 -1.276236 0.610986
C -4.343570 -1.697161 -1.524280
C -5.001500 0.250812 -0.113003
C -1.680263 -1.417581 0.352708
C -4.573450 -1.113549 -2.931560
C -4.458074 1.606238 0.378425
C 0.301539 0.048445 0.308387
C 1.149811 -1.027312 -0.049800
C 0.795664 1.364471 0.465547
C 2.174572 1.599371 0.257829
C 2.529980 -0.751564 -0.249704
C 3.049902 0.548244 -0.099420
C 1.920618 4.003293 0.743972
C 3.000783 -3.117954 -0.783972
C 2.824267 5.232411 0.797652
C 4.222667 -3.952524 -1.160891
H -3.588097 -2.284634 0.880147
H -3.307901 -0.638439 1.504020
H -3.537161 -2.453222 -1.591362
H -5.260514 -2.248582 -1.187753
H -5.648666 0.429247 -0.990519
H -5.657492 -0.204457 0.673160
H -1.489931 -1.774979 -0.679831
H -1.229492 -2.132946 1.074370
H -4.835384 -1.918103 -3.643997
H -3.658329 -0.607969 -3.285518
H -5.396272 -0.376379 -2.945794
H -5.290554 2.274889 0.668659
H -3.870868 2.087331 -0.422349
H -3.792383 1.490264 1.252269
H 0.756462 -2.038103 -0.166610
H 0.090833 2.152595 0.737712
H 4.112651 0.742023 -0.257929
H 1.122626 4.122484 -0.017774
H 1.442963 3.810481 1.726854
H 2.544503 -3.481003 0.160715
H 2.231512 -3.149725 -1.583676
H 3.620279 5.097166 1.549718
H 3.300135 5.407877 -0.182252
H 2.234148 6.127325 1.067295
H 4.674837 -3.578172 -2.095011
H 4.984818 -3.905504 -0.364532
H 3.932720 -5.008934 -1.308634


