%chk=000028464.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028464

0 1
 O    1.464600      -2.656800      0.3897000    
 N   -1.393600       2.771100      2.3200000E-02
 N    1.675400     -0.2872000      0.3492000    
 C   0.5234000       1.501000     -0.8990000    
 C  -0.2163000       2.840200     -0.8338000    
 C    1.016600      0.9860000      0.4519000    
 C   -1.765800       4.105500      0.4969000    
 C   -2.514400       2.154700     -0.6891000    
 C    3.125300     -0.3130000      0.1155000    
 C    3.990700      0.2808000       1.034400    
 C    3.637100     -0.9321000      -1.025100    
 C   0.9783000      -1.528300      0.4651000    
 C   -2.148200       5.012100     -0.6607000    
 C   -3.728700       2.015900      0.2133000    
 C    5.367600      0.2555000      0.8128000    
 C    5.014100     -0.9575000      -1.246400    
 C    3.472900      0.9517000       2.265400    
 C    2.735900      -1.577500      -2.027400    
 C    5.879200     -0.3638000     -0.3276000    
 C  -0.4911000      -1.390500      0.7001000    
 C   -1.357400      -1.912200     -0.1807000    
 C   -2.823100      -1.867900     -3.9000001E-02
 C   -3.396300      -1.645800       1.213200    
 C   -3.637800      -2.047900      -1.156900    
 C   -4.784000      -1.604100       1.347600    
 C   -5.025600      -2.005800      -1.022400    
 C   -5.598600      -1.784000      0.2299000    
 H    1.387900       1.626000      -1.564900    
 H  -0.1036000      0.7447000      -1.384600    
 H   0.5011000       3.574300     -0.4429000    
 H  -0.4603000       3.155100      -1.856500    
 H   0.1995000      0.9407000       1.175300    
 H    1.690900       1.752900      0.8323000    
 H   -2.567500       4.069400       1.242000    
 H  -0.9171000       4.548100       1.034700    
 H   -2.784800       2.661100      -1.622500    
 H   -2.233000       1.136700     -0.9803000    
 H   -2.330400       6.019600     -0.2672000    
 H   -3.076000       4.713900      -1.156500    
 H   -1.360900       5.120700      -1.411800    
 H   -4.462000       1.353500     -0.2595000    
 H   -4.236500       2.969800      0.3845000    
 H   -3.466100       1.577000       1.181600    
 H    6.053500      0.7160000       1.518900    
 H    5.427200      -1.438400      -2.129200    
 H    4.196000      0.8366000       3.082700    
 H    2.547100      0.5070000       2.642000    
 H    3.344000       2.025800       2.102600    
 H    3.177100      -1.506400      -3.029300    
 H    1.761700      -1.087300      -2.107100    
 H    2.603600      -2.640400      -1.807500    
 H    6.951400     -0.3836000     -0.5000000    
 H  -0.7911000     -0.8788000       1.606000    
 H  -0.9825000      -2.401900      -1.076800    
 H   -2.802700      -1.518800       2.113600    
 H   -3.208300      -2.220000      -2.140800    
 H   -5.230900      -1.434800       2.322900    
 H   -5.660200      -2.145200      -1.892700    
 H   -6.679200      -1.751700      0.3345000    


%chk=000028464-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028464

0 1
O 1.388790 -2.549195 -0.036959
N -1.298360 3.153961 -0.111923
N 1.593084 -0.230408 0.107861
C 0.544502 1.736710 -1.114128
C -0.051252 3.150851 -0.925224
C 1.017268 1.136254 0.230044
C -1.466054 4.384863 0.707248
C -2.490424 2.772591 -0.915979
C 3.041140 -0.323430 -0.021022
C 3.845775 -0.028733 1.118527
C 3.627676 -0.684396 -1.268955
C 0.828882 -1.407195 0.074144
C -1.712170 5.707738 -0.069459
C -3.771530 2.605675 -0.077586
C 5.255016 -0.056855 0.978157
C 5.041049 -0.700321 -1.366489
C 3.224927 0.270963 2.472191
C 2.782214 -1.086573 -2.460207
C 5.852841 -0.381053 -0.257657
C -0.655990 -1.269984 0.174189
C -1.435417 -2.393607 0.160446
C -2.901510 -2.467669 0.247328
C -3.737097 -1.319383 0.375576
C -3.524089 -3.748563 0.202744
C -5.136670 -1.449972 0.454376
C -4.926315 -3.881118 0.281762
C -5.740047 -2.731560 0.407886
H 1.402574 1.802914 -1.811373
H -0.198133 1.063296 -1.583615
H 0.697602 3.779886 -0.404036
H -0.209380 3.615070 -1.929644
H 0.182925 1.151895 0.952207
H 1.808314 1.785956 0.645387
H -2.299122 4.217475 1.414105
H -0.554186 4.491539 1.325702
H -2.684012 3.503346 -1.742558
H -2.260342 1.808767 -1.408740
H -1.793100 6.553277 0.638758
H -2.648887 5.669835 -0.654869
H -0.882631 5.928700 -0.765698
H -4.567700 2.148422 -0.693107
H -4.154105 3.571666 0.297214
H -3.582388 1.952875 0.794204
H 5.881886 0.160025 1.851394
H 5.502882 -0.973154 -2.322752
H 3.938842 0.049147 3.283799
H 2.314785 -0.331742 2.635580
H 2.934802 1.335560 2.574100
H 3.380065 -1.092400 -3.387719
H 1.918346 -0.413833 -2.604108
H 2.372503 -2.100991 -2.297602
H 6.944456 -0.399855 -0.352199
H -1.101812 -0.273685 0.256403
H -0.893700 -3.347096 0.072345
H -3.288383 -0.321212 0.417233
H -2.894921 -4.641753 0.105653
H -5.762280 -0.555542 0.554606
H -5.383577 -4.876042 0.245735
H -6.829463 -2.830236 0.470304


