%chk=000072266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072266

0 1
 O    2.470500      0.5903000      0.9375000    
 O    1.917200      -2.228600      -1.223200    
 O    4.135300      -1.885900      0.3090000    
 O    4.000900       2.866600      0.3555000    
 N   0.2729000      0.1010000      0.1884000    
 N   -1.340400       1.575100     -0.2613000    
 N   -1.077000      -1.873700      0.6138000    
 N   -4.274900      0.7802000     -0.2139000    
 N   -3.457100      -1.391200      0.3725000    
 C    2.293500     -0.9086000     -0.8876000    
 C    1.617800     -0.4335000      0.3896000    
 C    3.758500     -0.7847000     -0.5178000    
 C    3.775400      0.4889000      0.3217000    
 C    4.013500       1.743100     -0.5075000    
 C  -0.9068000     -0.5808000      0.2991000    
 C  -4.1400000E-02   1.392000     -0.1493000    
 C   -1.893500      0.3502000      1.6300000E-02
 C   -3.210600     -9.6000001E-02  6.0800001E-02
 C   -2.390800      -2.187700      0.6259000    
 C   -4.160400       2.197000      8.1100002E-02
 C   -5.502900      0.2863000     -0.8105000    
 H    2.056600     -0.2508000      -1.731900    
 H    1.532900      -1.231700       1.137300    
 H    4.425900     -0.7723000      -1.384100    
 H    4.503900      0.4391000       1.139000    
 H    3.233400       1.893500      -1.260300    
 H    4.984700       1.704900      -1.009600    
 H    2.178900      -2.811600     -0.4903000    
 H    5.063700      -1.751400      0.5655000    
 H   0.7102000       2.153500     -0.3061000    
 H    3.134800       2.887100      0.7974000    
 H   -2.625100      -3.217900      0.8716000    
 H   -3.645300       2.722300     -0.7296000    
 H   -3.633100       2.373700       1.025300    
 H   -5.150100       2.655100      0.1897000    
 H   -6.138700       1.105200      -1.163800    
 H   -6.076000     -0.2940000     -7.9899997E-02
 H   -5.285800     -0.3523000      -1.673800    


%chk=000072266-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072266

0 1
O 2.346643 0.444518 0.920110
O 2.196544 -1.716818 -2.082816
O 4.072989 -2.049915 -0.245976
O 4.029868 2.580261 1.513157
N 0.275546 0.108885 -0.215652
N -1.386944 1.563705 -0.807043
N -1.072392 -1.703040 0.787136
N -4.436478 0.740793 -0.189286
N -3.473929 -1.217037 0.716256
C 2.495175 -0.581122 -1.247571
C 1.586833 -0.455771 0.012183
C 3.911652 -0.632237 -0.612609
C 3.808693 0.295988 0.617739
C 4.351430 1.714871 0.382940
C -0.930279 -0.494467 0.176691
C -0.065613 1.341471 -0.794839
C -1.957557 0.415567 -0.203049
C -3.307464 0.009183 0.094191
C -2.390087 -1.981107 1.020659
C -4.402140 2.060503 -0.842313
C -5.774282 0.233361 0.160582
H 2.388096 0.312810 -1.885229
H 1.434694 -1.444320 0.485383
H 4.703195 -0.318627 -1.320508
H 4.286246 -0.153177 1.509059
H 3.939276 2.125235 -0.566267
H 5.453679 1.705711 0.318093
H 2.604715 -2.512531 -1.643961
H 4.990664 -2.233052 0.069016
H 0.680258 2.040220 -1.164536
H 3.063040 2.460897 1.709284
H -2.602734 -2.935429 1.512044
H -4.983462 2.029764 -1.784852
H -3.366459 2.355069 -1.065581
H -4.861860 2.820542 -0.180210
H -6.396293 0.140546 -0.750805
H -6.275786 0.932011 0.858156
H -5.664878 -0.750860 0.636924


