%chk=000156868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156868

0 1
 O   0.2739000      -1.551500       1.058100    
 N    4.409500      0.2419000      9.9399999E-02
 N   0.7470000      0.6755000      0.6188000    
 N   -5.486100      0.3985000     -0.8611000    
 C    2.996700      0.2659000     -0.2571000    
 C    2.150900      0.6186000      0.9575000    
 C    5.234500     -5.7700001E-02  -1.062900    
 C   -1.494400     -0.2150000      0.2934000    
 C  -0.1119000     -0.4274000      0.6919000    
 C    6.705700     -9.5700003E-02 -0.7042000    
 C   -2.248700      -1.278900     -0.2015000    
 C   -2.065800       1.052500      0.4049000    
 C   -4.145600      0.1923000     -0.4736000    
 C   -3.574300      -1.075300     -0.5850000    
 C   -3.391400       1.256200      2.1500001E-02
 H    2.688300     -0.7136000     -0.6432000    
 H    2.813900       1.001600      -1.050700    
 H    2.423700       1.604700       1.349600    
 H    2.294700     -0.1172000       1.756900    
 H    4.682900       1.142200      0.4922000    
 H    4.953700      -1.031200      -1.481800    
 H    5.081800      0.6973000      -1.843400    
 H   0.4112000       1.558500      0.2495000    
 H    7.044200      0.8702000     -0.3141000    
 H    6.908800     -0.8603000      5.3300001E-02
 H    7.306200     -0.3304000      -1.589000    
 H   -1.820800      -2.273200     -0.3007000    
 H   -1.525200       1.901000      0.8138000    
 H   -4.151400      -1.912000     -0.9703000    
 H   -3.827900       2.247000      0.1194000    
 H   -5.900500       1.317600     -0.7811000    
 H   -6.033300     -0.3722000      -1.220600    


%chk=000156868-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156868

0 1
O 0.387267 -1.572011 0.616354
N 4.473186 0.337674 0.014607
N 0.744563 0.723338 0.601178
N -5.664112 0.336535 -0.708457
C 3.045300 0.376577 -0.353723
C 2.176210 0.591427 0.908857
C 5.389065 -0.127316 -1.050412
C -1.526746 -0.137497 0.185652
C -0.078678 -0.392473 0.482320
C 6.845752 -0.133534 -0.555242
C -2.308874 -1.232688 -0.268849
C -2.172049 1.117453 0.354302
C -4.311973 0.180879 -0.412386
C -3.670947 -1.085053 -0.568848
C -3.537934 1.280816 0.063220
H 2.770117 -0.598571 -0.795446
H 2.799686 1.162229 -1.114210
H 2.506960 1.499938 1.450255
H 2.309721 -0.277115 1.574122
H 4.790945 1.232720 0.414615
H 5.087268 -1.156017 -1.328148
H 5.316176 0.488711 -1.983224
H 0.380280 1.642315 0.351218
H 7.180670 0.886668 -0.283996
H 6.942368 -0.774742 0.338198
H 7.525909 -0.512424 -1.339347
H -1.812023 -2.203158 -0.372281
H -1.625506 1.980448 0.755102
H -4.251402 -1.945679 -0.923398
H -4.017171 2.255965 0.213601
H -6.124615 1.234501 -0.592869
H -6.219113 -0.450018 -1.032866


