%chk=000040698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040698

0 1
 O   0.5657000     -0.4247000     -0.4686000    
 O   0.8009000      -3.212800     -0.7334000    
 O   -2.544200      -1.235100      0.4753000    
 O   -2.516000     -0.8736000      -1.797900    
 N    3.846400      -1.446100      0.4113000    
 C    2.026200       1.925300      0.1692000    
 C   0.5358000       1.898400      7.9599999E-02
 C  -0.1425000      0.7240000     -0.2365000    
 C   -1.532800      0.7146000     -0.3161000    
 C  -0.1810000       3.071100      0.3176000    
 C   -2.249500       1.887500     -7.8400001E-02
 C    1.606300      -2.483700      0.1972000    
 C   0.8279000      -1.253900      0.6594000    
 C    2.522900       2.289200       1.580500    
 C    2.659800       2.869500     -0.8689000    
 C   -1.573600       3.065700      0.2385000    
 C    2.932000      -2.139400     -0.4859000    
 C   -3.741400       1.912500     -0.1560000    
 C   -2.236100     -0.5200000     -0.6477000    
 C    5.119200      -1.180900     -0.2455000    
 C   -3.237300      -2.472400      0.2794000    
 C   -3.488900      -3.115200       1.626800    
 H    2.439200      0.9384000     -5.5100001E-02
 H   0.3229000       4.001000      0.5662000    
 H    1.785400      -3.143800       1.053500    
 H    1.389100     -0.7020000       1.421000    
 H  -0.1182000      -1.578800       1.103300    
 H    2.255000       3.314000       1.858800    
 H    3.613700       2.204500       1.636100    
 H    2.095600       1.615000       2.330900    
 H    2.333100       2.609200      -1.881900    
 H    3.752400       2.794500     -0.8391000    
 H    2.393900       3.916600     -0.6888000    
 H   -2.116100       3.988400      0.4269000    
 H    3.386400      -3.072900     -0.8437000    
 H    2.743400      -1.535400      -1.382700    
 H   -4.079100       1.620100      -1.155700    
 H   -4.143300       2.912300      4.2100001E-02
 H   -4.175800       1.234700      0.5863000    
 H    4.007000      -2.014100       1.242600    
 H   0.5921000      -2.617400      -1.473600    
 H    5.618300      -2.107800     -0.5463000    
 H    5.781500     -0.6509000      0.4459000    
 H    4.985000     -0.5430000      -1.125200    
 H   -4.190700      -2.279400     -0.2245000    
 H   -2.625400      -3.136900     -0.3405000    
 H   -4.083100      -2.452600       2.264700    
 H   -2.543600      -3.295800       2.149300    
 H   -4.017800      -4.065600       1.514200    


%chk=000040698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040698

0 1
O 0.907929 -0.255655 -0.307981
O 0.421294 -3.130371 -0.305077
O -2.697849 -1.225117 0.411052
O -1.501887 -1.363868 -1.576446
N 3.999464 -2.037799 0.214373
C 2.134412 2.323890 0.275637
C 0.620551 2.128836 0.171773
C 0.056361 0.856312 -0.100301
C -1.351368 0.665170 -0.204634
C -0.280016 3.210195 0.332499
C -2.242449 1.760481 -0.025055
C 1.554856 -2.489684 0.371106
C 1.184744 -1.096038 0.893097
C 2.548267 2.795497 1.695536
C 2.647042 3.312318 -0.805618
C -1.675518 3.031256 0.239160
C 2.800875 -2.456339 -0.545910
C -3.748819 1.599391 -0.132863
C -1.840596 -0.708442 -0.557253
C 5.154000 -1.644177 -0.618380
C -3.140547 -2.646540 0.198027
C -4.035822 -3.006140 1.378341
H 2.608575 1.343260 0.085404
H 0.118357 4.211495 0.534920
H 1.757898 -3.138768 1.245618
H 2.031880 -0.660503 1.456328
H 0.276441 -1.147809 1.524355
H 2.107095 3.781518 1.934401
H 3.647807 2.890762 1.764214
H 2.215629 2.080242 2.469876
H 2.383208 2.963950 -1.820095
H 3.747236 3.408920 -0.747091
H 2.212810 4.320642 -0.668430
H -2.342547 3.891321 0.367558
H 2.897482 -3.457527 -1.027510
H 2.626510 -1.716623 -1.349274
H -4.041241 1.124913 -1.088120
H -4.251355 2.579511 -0.073972
H -4.137401 0.956889 0.676909
H 4.262627 -2.743351 0.916153
H 0.063361 -2.513797 -1.003419
H 5.511392 -2.437839 -1.318433
H 5.999009 -1.353733 0.031498
H 4.880481 -0.763130 -1.227590
H -3.668126 -2.702736 -0.770975
H -2.230307 -3.270913 0.142082
H -4.922108 -2.349780 1.423075
H -3.486424 -2.917158 2.331008
H -4.382513 -4.050628 1.275026


