%chk=000121384.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121384

0 1
 O   -5.397600       1.257600      0.3867000    
 O   0.9442000     -0.2489000       2.370600    
 O    1.355100     -0.7001000      -2.384100    
 O   0.4554000      -4.304500      0.2967000    
 N   -2.803700      0.3994000     -0.4114000    
 N   0.6694000      -2.252400       1.301600    
 N   0.8674000      -2.472500      -1.022800    
 C   0.9348000     -0.1982000     -5.1600002E-02
 C  -0.3636000      0.5720000     -0.2365000    
 C   -1.571700     -0.3607000     -0.2113000    
 C   -2.990600       1.383100      0.6643000    
 C   -3.965300     -0.4981000     -0.4802000    
 C    2.078700      0.7767000     -4.5400001E-02
 C   0.8647000     -0.8831000       1.316300    
 C    1.086400      -1.127400      -1.259300    
 C   -4.288000       2.154800      0.4411000    
 C   -5.239300      0.3185000     -0.6775000    
 C    3.369600      0.3181000      0.1848000    
 C    1.832000       2.125200     -0.2705000    
 C   0.6436000      -3.090600      0.1978000    
 C    4.431300       1.222700      0.1904000    
 C    2.893800       3.029800     -0.2650000    
 C    4.193400       2.578500     -3.4600001E-02
 H  -0.3956000       1.105700      -1.197200    
 H  -0.4546000       1.291300      0.5839000    
 H   -1.634200     -0.9165000      0.7311000    
 H   -1.494000      -1.092600      -1.022400    
 H   -2.204200       2.141300      0.6834000    
 H   -3.021600      0.8852000       1.642000    
 H   -4.048600      -1.085100      0.4438000    
 H   -3.858900      -1.196500      -1.318200    
 H   -4.460000       2.844900       1.273600    
 H   -4.252900       2.749300     -0.4801000    
 H   -5.235200      0.8498000      -1.637100    
 H   -6.111200     -0.3434000     -0.6693000    
 H   0.5614000      -2.700400       2.207300    
 H   0.9060000      -3.083300      -1.834100    
 H    3.572600     -0.7351000      0.3586000    
 H   0.8633000       2.568600     -0.4633000    
 H    5.443300      0.8713000      0.3689000    
 H    2.710600       4.085900     -0.4415000    
 H    5.020200       3.282800     -3.0999999E-02


%chk=000121384-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121384

0 1
O -5.720745 1.255260 0.365977
O 0.296526 0.128632 2.317069
O 0.790837 -1.166999 -2.332278
O 1.869819 -4.076048 1.125312
N -3.008763 0.510011 -0.361003
N 1.161571 -1.918943 1.683915
N 1.374579 -2.557854 -0.582567
C 0.790000 -0.157344 -0.083110
C -0.518875 0.610295 -0.426171
C -1.771445 -0.295981 -0.424065
C -3.343093 0.958605 1.017272
C -4.183525 -0.156114 -0.981539
C 2.064417 0.741008 -0.176849
C 0.705955 -0.617760 1.393337
C 0.968788 -1.309494 -1.097586
C -4.551111 1.907573 0.979963
C -5.380022 0.810048 -0.995406
C 3.349993 0.151023 -0.053833
C 1.972011 2.142369 -0.351707
C 1.502424 -2.929693 0.768449
C 4.515693 0.943371 -0.108554
C 3.140042 2.935599 -0.405404
C 4.415689 2.342112 -0.283966
H -0.415779 1.074228 -1.420844
H -0.644175 1.408315 0.324420
H -1.719923 -1.028264 0.424911
H -1.789995 -0.887253 -1.358000
H -2.475636 1.478911 1.462712
H -3.582572 0.084031 1.673406
H -4.473484 -1.083383 -0.426229
H -3.929048 -0.441021 -2.019783
H -4.870212 2.185846 1.997823
H -4.288028 2.822186 0.405932
H -5.137133 1.690987 -1.628216
H -6.287153 0.315085 -1.379813
H 1.197025 -2.187697 2.673041
H 1.558866 -3.301588 -1.264662
H 3.457315 -0.931843 0.078738
H 0.997815 2.627561 -0.449310
H 5.498496 0.468783 -0.014610
H 3.049965 4.018769 -0.542298
H 5.319291 2.959768 -0.325977


