%chk=000063114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063114

0 1
 O    2.969600      -1.918600      0.3890000    
 N    1.050400     -0.6124000     -1.7999999E-02
 N    1.304600       1.745700     -0.2791000    
 N   -3.586000       1.204300      -1.050000    
 C   0.1799000      -1.748100      0.1471000    
 C    3.287400      0.3674000      0.1002000    
 C   0.5616000      0.6784000     -0.2609000    
 C    2.433700     -0.8384000      0.1514000    
 C  -0.1436000      -2.551900     -0.9392000    
 C    2.682900       1.610700     -8.4299996E-02
 C  -0.3283000      -2.023100       1.411000    
 C    4.674200      0.2655000      0.2640000    
 C  -0.9885000      -3.647100     -0.7593000    
 C    3.484500       2.758300     -0.1039000    
 C  -0.8720000      0.8542000     -0.5921000    
 C   0.3933000      -2.272800      -2.305400    
 C   -1.173000      -3.118500       1.590900    
 C   -1.503200      -3.930400      0.5058000    
 C    5.461400       1.416000      0.2411000    
 C    4.867100       2.662200      5.8899999E-02
 C   -1.706200       1.128300      0.4082000    
 C   -3.112100       1.336700      0.2189000    
 C   -3.935900       1.659300       1.298600    
 C   -5.293200       1.852600       1.066500    
 C   -4.910700       1.399600      -1.236800    
 C   -5.797800       1.722000     -0.2226000    
 H  -7.6800004E-02  -1.397100       2.262900    
 H    5.157600     -0.6962000      0.4123000    
 H   -1.256300      -4.290200      -1.593500    
 H    3.034600       3.737300     -0.2512000    
 H   -1.159600      0.7375000      -1.629800    
 H    1.487100      -2.317200      -2.305900    
 H   4.0800001E-02  -3.007300      -3.037800    
 H   7.0900001E-02  -1.287900      -2.656500    
 H   -1.573900      -3.339000       2.576000    
 H   -2.161200      -4.783000      0.6461000    
 H    6.537400       1.340500      0.3677000    
 H    5.479300       3.559100      4.1099999E-02
 H   -1.324600       1.221100       1.422200    
 H   -3.541700       1.761100       2.305300    
 H   -5.956500       2.104300       1.888500    
 H   -5.253900       1.286100      -2.259800    
 H   -6.852300       1.868000     -0.4269000    


%chk=000063114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063114

0 1
O 3.026018 -2.096781 -0.165356
N 1.062647 -0.818237 0.046912
N 1.121017 1.588025 0.280034
N -3.914981 0.588586 0.019397
C 0.280668 -2.052090 0.016828
C 3.235408 0.307557 0.124309
C 0.432579 0.450320 0.162309
C 2.494336 -0.958728 -0.014367
C 0.068361 -2.728889 -1.213376
C 2.516636 1.538247 0.277999
C -0.230248 -2.549791 1.234570
C 4.653949 0.303589 0.112189
C -0.691367 -3.924950 -1.175335
C 3.248801 2.753061 0.421828
C -1.035731 0.493487 0.128568
C 0.649392 -2.210835 -2.512606
C -0.983392 -3.742870 1.248038
C -1.214001 -4.431124 0.035595
C 5.360986 1.508816 0.255721
C 4.652007 2.735248 0.411566
C -1.733447 1.658045 0.300325
C -3.198274 1.744980 0.253842
C -3.845682 2.998400 0.446754
C -5.253814 3.067887 0.398239
C -5.269063 0.674619 -0.024041
C -5.987385 1.884000 0.157878
H -0.030224 -2.002518 2.161915
H 5.166734 -0.656261 -0.008440
H -0.870311 -4.465383 -2.112252
H 2.683989 3.683058 0.536570
H -1.595412 -0.429327 -0.046779
H 1.748546 -2.333347 -2.512446
H 0.241768 -2.761840 -3.376615
H 0.439048 -1.135688 -2.659794
H -1.381014 -4.129350 2.192185
H -1.796921 -5.358809 0.032521
H 6.456019 1.508532 0.248329
H 5.208641 3.672457 0.522864
H -1.171394 2.582758 0.481043
H -3.244537 3.895400 0.630472
H -5.767851 4.023652 0.544475
H -5.800800 -0.265670 -0.212630
H -7.080700 1.888765 0.111464


