%chk=000130854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130854

0 1
 O  -0.2500000       3.058500     -0.4997000    
 O  -0.2096000       1.043700      -1.540300    
 O   -3.013000      0.8430000      0.6704000    
 N   -5.403600      -1.232800     -0.7636000    
 C  -0.1430000       1.119700      0.9007000    
 C    1.316500       1.034100       1.396200    
 C  -0.8698000     -0.2342000      0.9782000    
 C    2.219600      0.1101000      0.6128000    
 C  -0.2037000       1.700500     -0.5076000    
 C   -2.328100     -0.1696000      0.5339000    
 C    2.323500      -1.218300      0.9918000    
 C    2.926400      0.6091000     -0.4690000    
 C   -2.872700      -1.441500     -9.1200002E-02
 C    3.157300      -2.071300      0.2687000    
 C    3.760100     -0.2440000      -1.192000    
 C    3.875600      -1.584200     -0.8232000    
 C   -4.285600      -1.322600     -0.4660000    
 H  -0.6838000       1.817800       1.554600    
 H    1.757500       2.040500       1.391100    
 H    1.320200      0.7278000       2.451000    
 H  -0.8532000     -0.6252000       2.001500    
 H  -0.3741000     -0.9623000      0.3269000    
 H    1.771500      -1.607600       1.842300    
 H    2.846600       1.651500     -0.7636000    
 H   -2.274200      -1.668300     -0.9797000    
 H   -2.747400      -2.255100      0.6309000    
 H    3.247700      -3.114700      0.5563000    
 H    4.319900      0.1354000      -2.041900    
 H    4.525000      -2.248400      -1.386000    
 H  -0.2868000       3.427700      -1.407800    


%chk=000130854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130854

0 1
O 0.283412 2.903166 -0.627608
O -0.927550 1.122561 -1.478598
O -3.086382 0.588594 1.289888
N -5.585861 -1.344035 -0.490047
C -0.198851 1.072367 0.890480
C 1.274589 1.079009 1.420513
C -0.856938 -0.326831 0.918710
C 2.218034 0.146406 0.670603
C -0.326776 1.652004 -0.514843
C -2.370675 -0.244521 0.686864
C 2.478967 -1.163762 1.149684
C 2.851338 0.565544 -0.529170
C -2.932406 -1.244893 -0.342415
C 3.339334 -2.037183 0.446224
C 3.711085 -0.304475 -1.236088
C 3.956170 -1.610652 -0.752423
C -4.397007 -1.292681 -0.421499
H -0.788140 1.743503 1.549080
H 1.643100 2.118904 1.372474
H 1.233573 0.793904 2.488520
H -0.703563 -0.766374 1.924987
H -0.379564 -0.996701 0.184374
H 2.015684 -1.497112 2.087254
H 2.677114 1.582516 -0.900343
H -2.505872 -0.940662 -1.320324
H -2.534022 -2.256250 -0.128793
H 3.533333 -3.043254 0.834890
H 4.194788 0.037365 -2.158056
H 4.626257 -2.284392 -1.297776
H 0.125629 3.267232 -1.540863


