%chk=000044685.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044685

1 1
 O  -0.5628000     -0.1106000      -2.604800    
 N    3.509400     -0.5364000      0.6403000    
 C    1.025300     -0.3725000      0.7600000    
 C  -0.2436000     -5.3399999E-02 -0.1569000    
 C    2.332000      0.2842000      0.2501000    
 C   0.8298000      1.3400000E-02   2.245300    
 C  -0.4446000       1.497300     -0.1455000    
 C   -1.551000     -0.8061000      0.2559000    
 C    0.000000     -0.6038000      -1.623300    
 C    3.710200      -1.697500     -0.3415000    
 C    4.785400      0.3146000      0.6446000    
 C    3.319500      -1.123300       2.044700    
 C   0.8665000      -1.855400      -1.787200    
 C   -1.355600       2.075800      0.7384000    
 C   -2.796900     -0.2432000     -2.1199999E-02
 C   0.2877000       2.302200      -1.018300    
 C   -1.471400      -2.040700      0.9002000    
 C   0.4723000      -2.677400      -3.004200    
 C   -1.534600       3.459100      0.7493000    
 C   -3.963000     -0.9146000      0.3463000    
 C   0.1087000       3.685600      -1.007100    
 C   -2.637600      -2.712200       1.267600    
 C  -0.8025000       4.264000     -0.1233000    
 C   -3.883300      -2.149000      0.9905000    
 H    1.145500      -1.452700      0.7403000    
 H    2.373000      0.3891000     -0.8364000    
 H    2.461300       1.286200      0.6774000    
 H    1.369800      0.9200000       2.536800    
 H  -0.2233000      0.2123000       2.466000    
 H    1.066900     -0.7987000       2.937900    
 H    3.832800      -1.289800      -1.347600    
 H    4.635900      -2.210700     -5.7700001E-02
 H    2.891100      -2.407300     -0.2423000    
 H    4.666300       1.109400       1.386900    
 H    5.634300     -0.3253000      0.9027000    
 H    4.913000      0.7381000     -0.3560000    
 H    4.269100      -1.611000       2.302200    
 H    3.190500     -0.3144000       2.765900    
 H    2.576600      -1.921800       2.056800    
 H   0.7858000      -2.512800     -0.9240000    
 H    1.879200      -1.513800      -1.961200    
 H   -1.892300       1.512700       1.494900    
 H   -2.918400      0.6651000     -0.6033000    
 H   0.9984000       1.888600      -1.726000    
 H  -0.5309000      -2.527000       1.129000    
 H   0.5807000      -2.097900      -3.927100    
 H  -0.5714000      -3.001200      -2.934100    
 H    1.105300      -3.566500      -3.085800    
 H   -2.230100       3.911900       1.450000    
 H   -4.933500     -0.4872000      0.1113000    
 H   0.6778000       4.312600      -1.687200    
 H   -2.576400      -3.675200       1.766100    
 H  -0.9390000       5.341400     -0.1120000    
 H   -4.791300      -2.674500       1.271400    


%chk=000044685-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044685

1 1
O -0.286223 0.243586 -2.615161
N 3.663499 -0.422376 0.748618
C 0.995804 -0.626482 0.736190
C -0.223179 -0.114958 -0.161714
C 2.279601 0.044882 0.188781
C 0.760436 -0.373754 2.246627
C -0.380999 1.415897 0.026707
C -1.547454 -0.877774 0.153566
C -0.011899 -0.540766 -1.674931
C 3.723342 -1.935025 0.927687
C 4.724472 -0.007918 -0.275690
C 3.994828 0.271703 2.070815
C 0.437819 -1.983280 -1.970243
C -1.178566 1.916967 1.090330
C -2.748300 -0.370771 -0.413952
C 0.323107 2.356393 -0.773980
C -1.608414 -2.101873 0.869528
C 0.098447 -2.428588 -3.406189
C -1.266612 3.301325 1.352188
C -3.973552 -1.047170 -0.243870
C 0.231822 3.743166 -0.517529
C -2.836796 -2.777963 1.045585
C -0.559625 4.224378 0.549177
C -4.025677 -2.253204 0.492400
H 1.072072 -1.716626 0.562479
H 2.353849 -0.126358 -0.899019
H 2.247331 1.134256 0.359416
H 0.913002 0.686595 2.512583
H -0.273694 -0.629134 2.524235
H 1.413761 -1.001440 2.882180
H 3.433760 -2.421871 -0.016131
H 4.753617 -2.219658 1.193123
H 3.037772 -2.237310 1.731272
H 4.614901 1.066566 -0.487498
H 5.724903 -0.207667 0.138375
H 4.579855 -0.585814 -1.201007
H 4.975720 -0.085363 2.422085
H 4.031829 1.358399 1.900385
H 3.222039 0.040219 2.812388
H -0.015982 -2.671222 -1.233597
H 1.539338 -2.046235 -1.818534
H -1.757428 1.223253 1.709139
H -2.717774 0.554663 -0.999232
H 0.898773 2.022732 -1.641665
H -0.709765 -2.548677 1.309347
H 0.531123 -1.739871 -4.150062
H -0.993687 -2.434434 -3.561679
H 0.480893 -3.446491 -3.596012
H -1.896422 3.656973 2.174623
H -4.884632 -0.635931 -0.690693
H 0.762722 4.447931 -1.166840
H -2.862789 -3.714786 1.612469
H -0.637924 5.299714 0.740544
H -4.976445 -2.779108 0.627184


