%chk=000083448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083448

2 1
 O   0.4847000      0.3416000       1.409100    
 O  -0.2269000      -1.410500      8.2400002E-02
 N   -3.964000     -0.4384000     -0.1566000    
 N    3.913100     -6.2399998E-02  5.9700001E-02
 C   -2.043400       1.286500     -0.1971000    
 C   -1.794800      0.2292000      0.8919000    
 C   -2.898800     -0.8320000      0.8814000    
 C   -4.514300      0.9568000      0.1757000    
 C   -3.324400     -0.4160000      -1.550000    
 C   -3.375500       1.977300      0.1241000    
 C   -2.192800      0.6103000      -1.568000    
 C   -5.097600      -1.452400     -0.1325000    
 C  -0.4403000     -0.3948000      0.7302000    
 C    1.829000     -0.1447000       1.339700    
 C    2.531800      0.4748000      0.1478000    
 C    3.894800      -1.590600     -7.9999998E-02
 C    4.647400      0.5196000      -1.155700    
 C    4.716700      0.2925000       1.318100    
 C    3.107300      -1.968600      -1.315400    
 C    4.748100       2.021800      -1.004700    
 H   -1.231100       2.021400     -0.2287000    
 H   -1.812300      0.7067000       1.881900    
 H   -3.404300     -0.8725000       1.854000    
 H   -2.558500      -1.842800      0.6319000    
 H   -5.294400       1.190800     -0.5575000    
 H   -4.963500      0.9069000       1.174000    
 H   -2.953500      -1.425000      -1.762600    
 H   -4.107900     -0.1623000      -2.273100    
 H   -3.311100       2.506000       1.082800    
 H   -3.599800       2.741400     -0.6302000    
 H   -2.400300       1.365300      -2.336700    
 H   -1.257200      0.1284000      -1.873800    
 H   -5.539800      -1.453300      0.8679000    
 H   -5.841000      -1.158100     -0.8791000    
 H   -4.686100      -2.437600     -0.3703000    
 H    2.292100      0.1651000       2.281500    
 H    1.799800      -1.235800       1.349900    
 H    1.994500      0.3354000     -0.7953000    
 H    2.569600       1.556400      0.3183000    
 H    3.512000      -2.055400      0.8314000    
 H    4.937700      -1.914700     -0.1862000    
 H    4.075200      0.3033000      -2.060900    
 H    5.637000      5.4099999E-02  -1.218500    
 H    5.780600      0.1457000       1.106700    
 H    4.510900       1.326500       1.608000    
 H    4.424500     -0.3812000       2.129400    
 H    3.561700      -1.636700      -2.251200    
 H    2.060100      -1.664400      -1.293100    
 H    3.089900      -3.063900      -1.380600    
 H    5.298300       2.342400     -0.1171000    
 H    3.780300       2.528500      -1.032900    
 H    5.309900       2.415900      -1.860600    


%chk=000083448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083448

2 1
O 0.457106 0.313638 1.307497
O -0.190078 -1.302171 -0.247176
N -4.176682 -0.399007 -0.147308
N 4.122023 -0.062610 0.142765
C -2.232120 1.327710 -0.337361
C -1.877613 0.232642 0.730831
C -2.951439 -0.891104 0.643243
C -4.624979 0.967087 0.419139
C -3.771733 -0.213095 -1.626938
C -3.530523 2.033137 0.135937
C -2.488845 0.659136 -1.711809
C -5.306894 -1.412795 -0.035360
C -0.486288 -0.355678 0.517028
C 1.832504 -0.260164 1.333020
C 2.653086 0.391668 0.201256
C 4.240715 -1.615113 -0.003875
C 4.810102 0.601191 -1.094541
C 4.866801 0.344101 1.415896
C 3.455572 -2.231886 -1.166306
C 4.922690 2.128517 -1.052309
H -1.414327 2.063222 -0.409759
H -1.885176 0.709263 1.725764
H -3.307296 -1.199796 1.639531
H -2.559304 -1.773418 0.108968
H -5.587771 1.212965 -0.057474
H -4.800734 0.813809 1.497301
H -3.625578 -1.220990 -2.048669
H -4.637297 0.252842 -2.126582
H -3.345407 2.624035 1.048618
H -3.868248 2.737171 -0.643571
H -2.625818 1.436531 -2.481745
H -1.627603 0.041701 -2.016988
H -5.667226 -1.443891 1.004541
H -6.128740 -1.110842 -0.702703
H -4.935188 -2.405892 -0.331372
H 2.202366 0.001946 2.335305
H 1.757451 -1.354587 1.216581
H 2.203916 0.150146 -0.775050
H 2.658154 1.485343 0.332379
H 3.914652 -2.041697 0.960052
H 5.322156 -1.812090 -0.104798
H 4.230695 0.275473 -1.973559
H 5.811277 0.138966 -1.149567
H 5.942822 0.164438 1.268934
H 4.694415 1.409412 1.624629
H 4.514072 -0.264769 2.261375
H 3.791597 -1.879544 -2.155325
H 2.364127 -2.091627 -1.078578
H 3.639658 -3.320828 -1.144162
H 5.538074 2.497804 -0.216070
H 3.947207 2.642887 -1.042272
H 5.433068 2.443316 -1.979962


