%chk=000088184.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088184

0 1
 O   0.4977000     -0.5813000       1.763200    
 O   -1.266600       2.075500      -1.033100    
 O  -9.2200004E-02   3.781100     -0.1266000    
 O    6.454600      -1.567900      0.3953000    
 N   0.4855000      0.2365000     -0.4063000    
 N   -4.374500      -1.459000      -1.386800    
 N   0.8936000      -3.054000      0.2536000    
 C   -1.490500      -2.509200      0.5911000    
 C  -0.1547000      -2.072600     -3.1500001E-02
 C   -2.682300      -1.849200     -4.5100000E-02
 C   -3.261300     -0.6324000      0.3610000    
 C   0.9012000       1.576400     -6.7100003E-02
 C   0.3162000     -0.7463000      0.5578000    
 C   -4.333600     -0.4035000     -0.5038000    
 C    2.204300       1.949600     -0.7859000    
 C   -3.367900      -2.344800      -1.110800    
 C    3.341800       1.008700     -0.4696000    
 C   -2.994200      0.3095000       1.374400    
 C   -5.155500      0.7249000     -0.4055000    
 C  -0.1846000       2.589000     -0.4004000    
 C   -3.807900       1.442900       1.484700    
 C   -4.871500       1.645400      0.6073000    
 C    4.169600       1.281000      0.6079000    
 C    3.536600     -0.1107000      -1.262800    
 C    5.220200      0.4111000      0.8998000    
 C    4.587000     -0.9808000     -0.9708000    
 C    5.428900     -0.7198000      0.1103000    
 H   -1.615000      -3.595000      0.4712000    
 H   -1.501400      -2.327600       1.673600    
 H  -0.2557000      -1.997200      -1.120600    
 H    1.047400       1.635700       1.018200    
 H    2.498700       2.975500     -0.5268000    
 H    2.042800       1.967700      -1.872900    
 H   0.2690000      3.5799999E-02  -1.378200    
 H   -3.243200      -3.239300      -1.705000    
 H   -5.050200      -1.563700      -2.131100    
 H   -2.175000      0.1675000       2.072300    
 H   0.6237000      -3.961900     -0.1231000    
 H    1.749900      -2.789700     -0.2329000    
 H   -5.983600      0.8835000      -1.088200    
 H   -3.606900       2.172400       2.264700    
 H   -5.490500       2.532900      0.7110000    
 H    4.012900       2.157900       1.229400    
 H    2.889000     -0.3230000      -2.108700    
 H    5.868400      0.6254000       1.745200    
 H    4.744400      -1.860200      -1.589300    
 H   -1.940200       2.761900      -1.225900    
 H    6.932700      -1.233900       1.173600    


%chk=000088184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088184

0 1
O 0.951642 -0.806520 2.185384
O -1.296630 1.910591 -0.909111
O -0.791487 3.104396 1.026597
O 6.904853 -0.854168 -0.956448
N 0.327428 -0.110809 0.052951
N -3.702122 -1.188773 -1.808023
N 0.698280 -3.418256 1.477342
C -1.652695 -2.560895 1.021741
C -0.101457 -2.466083 0.709026
C -2.544557 -1.795476 0.076133
C -3.189325 -0.513454 0.312666
C 0.720641 1.292427 0.254921
C 0.437514 -1.058776 1.047304
C -3.902859 -0.155417 -0.887747
C 1.768412 1.783181 -0.783672
C -2.884753 -2.170953 -1.227234
C 3.094130 1.026751 -0.782857
C -3.218013 0.375361 1.419935
C -4.618891 1.056611 -1.011239
C -0.510486 2.206420 0.208384
C -3.928612 1.585776 1.306113
C -4.618296 1.926576 0.102010
C 3.605258 0.364402 0.360504
C 3.884956 1.027617 -1.962726
C 4.867508 -0.268013 0.330396
C 5.147165 0.404522 -2.008698
C 5.639613 -0.244835 -0.854092
H -1.899891 -3.640365 0.981350
H -1.811687 -2.237112 2.067348
H 0.019078 -2.645279 -0.380130
H 1.125609 1.363871 1.277942
H 1.953063 2.857127 -0.572033
H 1.314869 1.741500 -1.792817
H -0.160239 -0.348307 -0.814502
H -2.619894 -3.073373 -1.776579
H -4.091685 -1.227629 -2.747124
H -2.682635 0.135318 2.345290
H 0.292346 -4.349544 1.585648
H 1.078528 -3.010815 2.338775
H -5.162104 1.315161 -1.927235
H -3.943641 2.286892 2.146363
H -5.169870 2.871645 0.048537
H 3.020865 0.311665 1.285368
H 3.507900 1.527586 -2.863951
H 5.237557 -0.784061 1.226024
H 5.754987 0.406841 -2.918302
H -2.186034 2.359813 -0.849950
H 7.152761 -1.288336 -0.102782


