%chk=000090804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090804

0 1
 O   -4.212600     -0.2959000     -0.2684000    
 O   -2.983600      -2.030100      0.6163000    
 N   0.5085000      0.1856000      0.2095000    
 N   -2.224600       2.371600      -1.079800    
 C   0.7430000       1.637900      0.3248000    
 C    2.191200       1.908500     -0.1544000    
 C    2.780800      0.5377000     -0.1518000    
 C    1.772400     -0.4152000      2.5900001E-02
 C   0.5477000       2.091200       1.774000    
 C    4.103600      0.1789000     -0.3539000    
 C    2.090700      -1.766700      6.0000003E-04
 C  -0.6948000     -0.4362000      0.2912000    
 C    4.423400      -1.177900     -0.3690000    
 C    3.423300      -2.144400     -0.1943000    
 C   -1.908900      1.2500000E-02 -6.6900000E-02
 C   -3.066300     -0.9053000      0.1435000    
 C   -2.082600       1.313500     -0.6249000    
 C   -5.411100      -1.065500     -0.1225000    
 H   0.1088000       2.241700     -0.3207000    
 H    2.735400       2.595400      0.5005000    
 H    2.191700       2.301400      -1.177400    
 H  -0.4825000       1.923700       2.105100    
 H    1.207500       1.546300       2.458300    
 H   0.7612000       3.160400       1.876300    
 H    4.872300      0.9292000     -0.5038000    
 H    1.336300      -2.535600      0.1298000    
 H  -0.5939000      -1.454700      0.6540000    
 H    5.452500      -1.489900     -0.5239000    
 H    3.686600      -3.198600     -0.2132000    
 H   -6.247700     -0.4638000     -0.4876000    
 H   -5.582500      -1.302700      0.9318000    
 H   -5.348800      -1.979900     -0.7201000    


%chk=000090804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090804

0 1
O -4.301723 -0.276964 -0.038474
O -2.869410 -2.122957 -0.025684
N 0.542100 0.259207 0.013882
N -2.597245 2.694096 -0.028195
C 0.781863 1.750093 0.147384
C 2.257889 1.918760 -0.330052
C 2.847797 0.524728 -0.186024
C 1.804485 -0.418653 -0.019240
C 0.583816 2.193446 1.612727
C 4.182818 0.091307 -0.237523
C 2.060425 -1.800886 0.089573
C -0.661464 -0.371277 -0.005995
C 4.463489 -1.294516 -0.127288
C 3.408943 -2.226007 0.031094
C -1.961747 0.144193 -0.005313
C -3.040558 -0.873330 -0.024336
C -2.308538 1.529861 -0.015726
C -5.449755 -1.211607 -0.055550
H 0.073656 2.283354 -0.505095
H 2.783358 2.675771 0.277178
H 2.299096 2.250374 -1.385139
H -0.429364 1.955307 1.975377
H 1.323715 1.704078 2.271758
H 0.715170 3.287618 1.685667
H 4.997065 0.812917 -0.366229
H 1.260046 -2.534840 0.225693
H -0.620727 -1.467217 -0.039699
H 5.499357 -1.647428 -0.164073
H 3.636105 -3.293995 0.117356
H -6.335615 -0.561479 -0.060794
H -5.433166 -1.855870 0.839777
H -5.414880 -1.844984 -0.958038


