%chk=000099619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099619

0 1
 O  -0.7363000      -2.153700     -0.3724000    
 O    3.646900     -0.6184000      0.2952000    
 N   -1.517400      0.7337000     -0.3510000    
 N    1.944600      0.9594000      0.1323000    
 N    1.467000      -1.409000     -3.7999999E-02
 N  -4.8300002E-02   2.388100     -7.6899998E-02
 N   -4.775400     -0.8623000      0.5192000    
 C  -0.2955000      0.1404000     -0.2110000    
 C   0.5847000       1.174600     -4.4599999E-02
 C   -2.791000      8.5500002E-02 -0.5532000    
 C   6.8899997E-02  -1.239100     -0.2219000    
 C   -1.317000       2.087100     -0.2632000    
 C    2.446400     -0.3663000      0.1416000    
 C   -3.484500     -0.2332000      0.7682000    
 C    2.843300       2.093900      0.3056000    
 C    1.963700      -2.781000     -3.0099999E-02
 H   -3.406800      0.7673000      -1.153800    
 H   -2.636000     -0.8108000      -1.162100    
 H   -2.127200       2.799500     -0.3403000    
 H   -2.867900     -0.9045000       1.376100    
 H   -3.636600      0.6797000       1.354900    
 H    2.780700       2.735400     -0.5788000    
 H    3.879100       1.769800      0.4335000    
 H    2.537700       2.657400       1.192600    
 H    1.171700      -3.519900     -0.1702000    
 H    2.464500      -2.965300      0.9257000    
 H    2.703800      -2.888800     -0.8294000    
 H   -4.642700      -1.709100     -3.2499999E-02
 H   -5.352900     -0.2451000     -5.0799999E-02


%chk=000099619-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099619

0 1
O -0.763410 -2.174828 -0.433797
O 3.629401 -0.661600 0.384088
N -1.546382 0.851104 -0.480765
N 1.960268 0.972121 0.151291
N 1.435199 -1.382009 -0.022022
N 0.023494 2.488026 -0.144412
N -4.723470 -1.016483 0.561362
C -0.317229 0.203536 -0.268136
C 0.617704 1.235523 -0.073547
C -2.858735 0.193017 -0.650464
C 0.029190 -1.194423 -0.260321
C -1.286688 2.208763 -0.387560
C 2.417240 -0.366216 0.184005
C -3.445580 -0.327218 0.703076
C 2.916153 2.078438 0.353550
C 1.948958 -2.770802 0.017019
H -3.549773 0.923254 -1.110280
H -2.733998 -0.663460 -1.334027
H -2.062090 2.961585 -0.508746
H -2.714611 -1.024342 1.149099
H -3.558768 0.525709 1.399725
H 2.925301 2.736201 -0.531588
H 3.910116 1.634900 0.509579
H 2.621938 2.675971 1.232571
H 1.093394 -3.441043 -0.150617
H 2.415306 -2.973676 0.994846
H 2.712273 -2.914063 -0.765130
H -4.696004 -1.954111 0.160536
H -5.531699 -0.458570 0.285368


