%chk=000001938.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001938

0 1
 O   -1.903000      0.8586000      0.8765000    
 O   -1.257300      -2.321700     -0.5983000    
 O   -3.890900     -0.9565000      -1.492800    
 O   -5.509100      0.7422000      0.3430000    
 O    4.868300       1.141800     -0.6318000    
 N    1.952200       1.769500     -0.6913000    
 N    1.987200      -1.369000      0.8162000    
 N    4.318200     -0.8609000      0.3769000    
 C  -0.9647000     -0.1701000      0.4841000    
 C   -1.631300     -0.9553000     -0.6442000    
 C   -3.100700     -0.7730000     -0.3338000    
 C   -3.129000      0.6645000      0.1530000    
 C   0.3719000      0.3991000      9.9100001E-02
 C   -4.307000      0.9717000       1.060000    
 C    1.634100     -0.1882000      0.2771000    
 C   0.5964000       1.618800     -0.5063000    
 C    2.599700      0.6613000     -0.2122000    
 C    4.017900      0.3756000     -0.1932000    
 C    3.347000      -1.608200      0.8180000    
 H  -0.8292000     -0.8102000       1.365700    
 H   -1.383300     -0.5660000      -1.639300    
 H   -3.432500      -1.484400      0.4314000    
 H   -3.139900       1.357800     -0.6982000    
 H   -4.292800      0.3407000       1.955300    
 H   -4.275600       2.015400       1.390400    
 H  -8.2900003E-02   2.396800     -0.8260000    
 H  -0.2956000      -2.367000     -0.7343000    
 H   -3.597100     -0.3230000      -2.169200    
 H    2.396400       2.572500      -1.115000    
 H    1.333500      -2.046400       1.195100    
 H   -6.244400      0.9487000      0.9447000    
 H    3.587700      -2.585000       1.267900    


%chk=000001938-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001938

0 1
O -1.930032 1.261856 0.548156
O -0.858305 -2.254286 0.343918
O -3.604351 -1.627929 -1.047301
O -5.458039 0.335693 -0.081667
O 5.070741 1.088462 -0.632942
N 2.232612 2.080351 -0.114550
N 1.881492 -1.454408 0.161494
N 4.229164 -1.116016 -0.326909
C -0.892826 0.190010 0.696634
C -1.409362 -0.989765 -0.166680
C -2.928329 -0.858314 -0.018228
C -3.112897 0.671100 -0.134739
C 0.465515 0.711650 0.324764
C -4.395510 1.164838 0.533341
C 1.647774 -0.079487 0.130957
C 0.870351 2.048029 0.167005
C 2.733085 0.781202 -0.138965
C 4.092451 0.316478 -0.386360
C 3.179669 -1.886746 -0.075406
H -0.906195 -0.144654 1.756474
H -1.138238 -0.858994 -1.233335
H -3.227756 -1.195873 0.998733
H -3.105153 0.955525 -1.206434
H -4.341580 0.995158 1.627134
H -4.562640 2.240465 0.333216
H 0.264157 2.946957 0.236836
H -1.352658 -2.999537 -0.081975
H -4.562863 -1.361417 -1.010552
H 2.810304 2.902356 -0.286712
H 1.081970 -2.094300 0.305213
H -6.351035 0.655554 0.192036
H 3.322683 -2.973857 -0.044655


