%chk=000047258.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047258

0 1
 O  -0.4220000      -1.900500      -1.470200    
 N    1.696800      -2.442300      0.4816000    
 C   0.8381000      -1.250200      0.5121000    
 C    1.571200     -7.8100003E-02 -0.1757000    
 C  -0.5544000      -1.573800     -8.3099999E-02
 C    2.965800      0.2432000      0.3764000    
 C    3.562900       1.468300     -0.3192000    
 C   -1.537500     -0.4254000     -2.3000001E-03
 C    4.928400       1.821000      0.2492000    
 C   -2.346100     -0.3063000       1.114600    
 C   -1.605700      0.4799000      -1.046700    
 C   -3.251800      0.7519000       1.189200    
 C   -2.511400       1.538100     -0.9719000    
 C   -3.334400       1.674000      0.1461000    
 H   0.6965000     -0.9842000       1.567700    
 H    1.660200     -0.2771000      -1.251800    
 H   0.9635000      0.8283000     -7.3399998E-02
 H  -0.9882000      -2.453300      0.4100000    
 H    3.642600     -0.6055000      0.2286000    
 H    2.897700      0.4260000       1.455500    
 H    3.657500       1.276900      -1.394400    
 H    2.893900       2.328600     -0.1999000    
 H    2.533300      -2.286900       1.041100    
 H    2.016400      -2.615700     -0.4704000    
 H    5.633200      0.9935000      0.1188000    
 H    4.861300       2.050700       1.317400    
 H    5.336400       2.698600     -0.2620000    
 H   -2.286400      -1.018500       1.932200    
 H  -0.9698000      0.4084000      -1.923900    
 H   0.1511000      -2.683400      -1.531000    
 H   -3.892000      0.8584000       2.060000    
 H   -2.573800       2.258300      -1.782500    
 H   -4.038800       2.498600      0.2048000    


%chk=000047258-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047258

0 1
O -0.409140 -2.116398 -1.515937
N 1.692218 -2.563720 0.054456
C 0.884044 -1.367278 0.425133
C 1.518910 -0.097078 -0.180239
C -0.561042 -1.657083 -0.140970
C 2.921572 0.247471 0.374316
C 3.442188 1.605962 -0.149505
C -1.494994 -0.460568 -0.072002
C 4.847837 1.959025 0.382237
C -2.012855 -0.040668 1.179584
C -1.849430 0.255645 -1.240475
C -2.854554 1.091036 1.265697
C -2.696181 1.384125 -1.156122
C -3.197612 1.809868 0.096240
H 0.805124 -1.229817 1.527489
H 1.561618 -0.205957 -1.282437
H 0.842227 0.752992 0.025365
H -0.989342 -2.477840 0.483631
H 3.662639 -0.534629 0.101190
H 2.887792 0.272599 1.484075
H 3.456276 1.586195 -1.258024
H 2.724827 2.401331 0.136962
H 1.509258 -3.392145 0.632323
H 2.696109 -2.378464 -0.030739
H 5.591011 1.196556 0.080381
H 4.852463 2.012254 1.487491
H 5.192594 2.935858 -0.003568
H -1.767041 -0.603490 2.089691
H -1.464074 -0.098589 -2.200929
H 0.474993 -2.604779 -1.479510
H -3.248731 1.406221 2.238788
H -2.968912 1.928540 -2.067755
H -3.855293 2.684325 0.160062


