%chk=000111488.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111488

0 1
 O   -1.121700      -1.955600     -0.4327000    
 O  -0.5670000       2.751500     -0.2769000    
 N  -0.7854000      0.4202000     -0.3661000    
 N   -4.503400      -2.589100      0.1599000    
 C   0.6372000      0.2303000     -0.6416000    
 C    1.465500      7.8800000E-02  0.6320000    
 C    2.939800     -9.0499997E-02  0.3587000    
 C   -1.641500     -0.6808000     -0.2664000    
 C   -1.253900       1.732600     -0.2052000    
 C   -3.509800      0.8119000      0.1613000    
 C   -2.956000     -0.5225000     -1.5000000E-02
 C   -2.707400       1.882800      7.3100001E-02
 C    3.458000      -1.364900      0.1885000    
 C    3.750500       1.031300      0.2829000    
 C   -4.978000      0.9750000      0.4422000    
 C    4.820900      -1.521500     -6.3800000E-02
 C    5.113400      0.8748000      3.0500000E-02
 C    5.648600     -0.4016000     -0.1428000    
 C   -3.809700      -1.662500      8.1299998E-02
 H    1.000900       1.096400      -1.209500    
 H   0.7700000     -0.6337000      -1.304300    
 H    1.314400      0.9493000       1.284200    
 H    1.103100     -0.7777000       1.216000    
 H   -3.081900       2.893300      0.1988000    
 H    2.820800      -2.242800      0.2461000    
 H    3.342400       2.029400      0.4145000    
 H   -5.258200       2.028700      0.5525000    
 H   -5.255100      0.4682000       1.372900    
 H   -5.579100      0.5652000     -0.3768000    
 H    5.237600      -2.515300     -0.1993000    
 H    5.757800       1.746800     -3.1700000E-02
 H    6.709700     -0.5234000     -0.3395000    
 H   -1.811300      -2.630700     -0.3397000    


%chk=000111488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111488

0 1
O -1.113789 -1.922150 -0.517056
O -0.382573 2.673418 -0.149169
N -0.809360 0.369126 -0.354593
N -4.557440 -2.652341 -0.001245
C 0.643321 0.161694 -0.609946
C 1.444472 0.004404 0.712159
C 2.932147 -0.122294 0.419896
C -1.681194 -0.680111 -0.301787
C -1.247943 1.748153 -0.117168
C -3.559685 0.844584 0.172686
C -3.058124 -0.496084 -0.047189
C -2.667535 1.906722 0.131586
C 3.552123 -1.394711 0.330828
C 3.717397 1.036649 0.185766
C -5.034136 1.044655 0.442680
C 4.926129 -1.509209 0.018541
C 5.090772 0.926094 -0.126448
C 5.699640 -0.348110 -0.211887
C -3.889208 -1.654631 -0.017209
H 0.996319 1.058137 -1.144883
H 0.768835 -0.727825 -1.246057
H 1.248225 0.893401 1.338197
H 1.077696 -0.887359 1.252592
H -3.004890 2.932700 0.296685
H 2.956691 -2.298218 0.513465
H 3.249285 2.026544 0.256519
H -5.270671 2.110294 0.590062
H -5.350680 0.488570 1.344876
H -5.645206 0.663745 -0.396812
H 5.392739 -2.499096 -0.041556
H 5.685765 1.829965 -0.299674
H 6.765421 -0.434633 -0.451588
H -1.803342 -2.638182 -0.488172


